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/15-Agno-a128875d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-a128875d/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-a128875d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-a128875d/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-a128875d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-a128875d/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-a128875d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-a128875d/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-a128875d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-a128875d/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-a128875d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-a128875d/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-a128875d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-a128875d/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-a128875d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-a128875d/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-a128875d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-a128875d/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-a128875d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-a128875d/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.........................._
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -173.571643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.571643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.571643 (E_RNA)
where:
Base-Base interactions energy: -89.838
where: short stacking energy: -61.322
Base-Backbone interact. energy: -0.030
local terms energy: -83.703673
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -15.209
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -174.511778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.511778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.511778 (E_RNA)
where:
Base-Base interactions energy: -91.429
where: short stacking energy: -65.882
Base-Backbone interact. energy: -0.227
local terms energy: -82.855804
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -15.734
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -129.032246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.032246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.032246 (E_RNA)
where:
Base-Base interactions energy: -52.075
where: short stacking energy: -52.075
Base-Backbone interact. energy: -0.019
local terms energy: -76.937475
where:
bonds (distance) C4'-P energy: -20.489
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -20.964
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -8.182
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -144.319856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.319856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.319856 (E_RNA)
where:
Base-Base interactions energy: -64.728
where: short stacking energy: -59.070
Base-Backbone interact. energy: -0.018
local terms energy: -79.574350
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -113.779279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.779279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.779279 (E_RNA)
where:
Base-Base interactions energy: -52.686
where: short stacking energy: -47.235
Base-Backbone interact. energy: -0.126
local terms energy: -60.967610
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -7.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -119.963824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.963824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.963824 (E_RNA)
where:
Base-Base interactions energy: -50.891
where: short stacking energy: -42.284
Base-Backbone interact. energy: 0.337
local terms energy: -69.410144
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -8.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -132.059954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.059954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.059954 (E_RNA)
where:
Base-Base interactions energy: -64.078
where: short stacking energy: -40.831
Base-Backbone interact. energy: -0.596
local terms energy: -67.385714
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -99.604302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.604302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.604302 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -95.955611
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -21.762
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -99.604303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.604303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.604303 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -95.955611
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -21.762
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -99.604303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.604303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.604303 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -95.955611
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -21.762
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -167.781216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.781216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.781216 (E_RNA)
where:
Base-Base interactions energy: -81.272
where: short stacking energy: -63.957
Base-Backbone interact. energy: -0.490
local terms energy: -86.019590
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -22.867
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -154.915772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.915772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.915772 (E_RNA)
where:
Base-Base interactions energy: -74.655
where: short stacking energy: -57.166
Base-Backbone interact. energy: 0.542
local terms energy: -80.802948
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -14.692
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: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -178.769887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.769887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.769887 (E_RNA)
where:
Base-Base interactions energy: -105.292
where: short stacking energy: -63.948
Base-Backbone interact. energy: 0.156
local terms energy: -73.633967
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -15.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -140.826447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.826447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.826447 (E_RNA)
where:
Base-Base interactions energy: -63.202
where: short stacking energy: -45.923
Base-Backbone interact. energy: -0.180
local terms energy: -77.444692
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -9.447
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: 3
Temperature: 1.100000
Total energy: -125.996369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.996369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.996369 (E_RNA)
where:
Base-Base interactions energy: -62.660
where: short stacking energy: -55.423
Base-Backbone interact. energy: -0.818
local terms energy: -62.517952
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -12.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -160.212783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.212783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.212783 (E_RNA)
where:
Base-Base interactions energy: -83.245
where: short stacking energy: -43.782
Base-Backbone interact. energy: -0.314
local terms energy: -76.654123
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -10.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -121.321761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.321761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.321761 (E_RNA)
where:
Base-Base interactions energy: -65.453
where: short stacking energy: -50.560
Base-Backbone interact. energy: -0.343
local terms energy: -55.525967
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -6.927
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: 3
Temperature: 1.250000
Total energy: -102.440710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.440710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.440710 (E_RNA)
where:
Base-Base interactions energy: -40.127
where: short stacking energy: -31.781
Base-Backbone interact. energy: 0.235
local terms energy: -62.548840
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -10.873
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: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -92.190838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.190838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.190838 (E_RNA)
where:
Base-Base interactions energy: -34.111
where: short stacking energy: -24.118
Base-Backbone interact. energy: -0.025
local terms energy: -58.055362
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: 3.869
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -87.728370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.728370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.728370 (E_RNA)
where:
Base-Base interactions energy: -33.502
where: short stacking energy: -30.581
Base-Backbone interact. energy: -0.299
local terms energy: -53.927143
where:
bonds (distance) C4'-P energy: -6.570
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -0.522
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: 4
Temperature: 0.900000
Total energy: -182.205577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.205577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.205577 (E_RNA)
where:
Base-Base interactions energy: -102.893
where: short stacking energy: -67.377
Base-Backbone interact. energy: -0.705
local terms energy: -78.608243
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -11.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -163.583782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.583782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.583782 (E_RNA)
where:
Base-Base interactions energy: -97.754
where: short stacking energy: -57.529
Base-Backbone interact. energy: 1.221
local terms energy: -67.050359
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -3.160
tors. eta vs tors. theta energy: -11.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -184.563344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.563344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.563344 (E_RNA)
where:
Base-Base interactions energy: -102.836
where: short stacking energy: -59.307
Base-Backbone interact. energy: -0.111
local terms energy: -81.615535
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -168.250599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.250599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.250599 (E_RNA)
where:
Base-Base interactions energy: -95.106
where: short stacking energy: -48.218
Base-Backbone interact. energy: -0.227
local terms energy: -72.917667
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -8.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -128.591170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.591170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.591170 (E_RNA)
where:
Base-Base interactions energy: -57.080
where: short stacking energy: -49.071
Base-Backbone interact. energy: -0.616
local terms energy: -70.895255
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -8.551
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: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -130.492522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.492522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.492522 (E_RNA)
where:
Base-Base interactions energy: -58.395
where: short stacking energy: -54.147
Base-Backbone interact. energy: -0.035
local terms energy: -72.062598
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -9.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -110.507643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.507643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.507643 (E_RNA)
where:
Base-Base interactions energy: -51.766
where: short stacking energy: -40.883
Base-Backbone interact. energy: -0.266
local terms energy: -58.476236
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: -10.579
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -112.735313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.735313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.735313 (E_RNA)
where:
Base-Base interactions energy: -46.487
where: short stacking energy: -33.741
Base-Backbone interact. energy: -1.193
local terms energy: -65.055228
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -103.440701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.440701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.440701 (E_RNA)
where:
Base-Base interactions energy: -50.707
where: short stacking energy: -28.394
Base-Backbone interact. energy: -0.515
local terms energy: -52.218342
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -3.030
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -79.066528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.066528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.066528 (E_RNA)
where:
Base-Base interactions energy: -33.160
where: short stacking energy: -18.710
Base-Backbone interact. energy: -0.417
local terms energy: -45.489801
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -9.299
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -213.978100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.978100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.978100 (E_RNA)
where:
Base-Base interactions energy: -127.101
where: short stacking energy: -63.868
Base-Backbone interact. energy: -0.806
local terms energy: -86.071087
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -17.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -195.791065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.791065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.791065 (E_RNA)
where:
Base-Base interactions energy: -114.217
where: short stacking energy: -73.234
Base-Backbone interact. energy: 0.612
local terms energy: -82.185464
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -16.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -166.599301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.599301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.599301 (E_RNA)
where:
Base-Base interactions energy: -92.914
where: short stacking energy: -52.845
Base-Backbone interact. energy: -0.227
local terms energy: -73.459016
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -19.641
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -7.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -166.847798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.847798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.847798 (E_RNA)
where:
Base-Base interactions energy: -93.904
where: short stacking energy: -55.778
Base-Backbone interact. energy: -0.105
local terms energy: -72.837927
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -14.407
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: 5, replica: 7
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -118.025332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.025332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.025332 (E_RNA)
where:
Base-Base interactions energy: -57.564
where: short stacking energy: -38.827
Base-Backbone interact. energy: -0.490
local terms energy: -59.971445
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -117.001839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.001839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.001839 (E_RNA)
where:
Base-Base interactions energy: -56.638
where: short stacking energy: -37.232
Base-Backbone interact. energy: 0.382
local terms energy: -60.745992
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -1.650
tors. eta vs tors. theta energy: -5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -93.125928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.125928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.125928 (E_RNA)
where:
Base-Base interactions energy: -37.076
where: short stacking energy: -28.842
Base-Backbone interact. energy: -0.556
local terms energy: -55.493951
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -5.865
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: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -95.241582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.241582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.241582 (E_RNA)
where:
Base-Base interactions energy: -35.841
where: short stacking energy: -18.655
Base-Backbone interact. energy: -0.611
local terms energy: -58.789140
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -1.216
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: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -93.435936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.435936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.435936 (E_RNA)
where:
Base-Base interactions energy: -28.034
where: short stacking energy: -28.034
Base-Backbone interact. energy: -0.182
local terms energy: -65.220471
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -4.002
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: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -100.022127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.022127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.022127 (E_RNA)
where:
Base-Base interactions energy: -45.219
where: short stacking energy: -35.671
Base-Backbone interact. energy: -0.100
local terms energy: -54.703120
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -3.715
tors. eta vs tors. theta energy: -6.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -203.568388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.568388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.568388 (E_RNA)
where:
Base-Base interactions energy: -125.438
where: short stacking energy: -66.714
Base-Backbone interact. energy: -0.048
local terms energy: -78.082689
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -20.120
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -185.822076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.822076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.822076 (E_RNA)
where:
Base-Base interactions energy: -94.413
where: short stacking energy: -49.093
Base-Backbone interact. energy: -0.632
local terms energy: -90.777341
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -18.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -186.616504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.616504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.616504 (E_RNA)
where:
Base-Base interactions energy: -119.870
where: short stacking energy: -65.212
Base-Backbone interact. energy: -0.064
local terms energy: -66.682249
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -12.493
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: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -146.671764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.671764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.671764 (E_RNA)
where:
Base-Base interactions energy: -74.432
where: short stacking energy: -48.931
Base-Backbone interact. energy: -0.578
local terms energy: -71.661708
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -155.773036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.773036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.773036 (E_RNA)
where:
Base-Base interactions energy: -81.921
where: short stacking energy: -57.712
Base-Backbone interact. energy: -0.016
local terms energy: -73.835940
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -106.913562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.913562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.913562 (E_RNA)
where:
Base-Base interactions energy: -47.066
where: short stacking energy: -46.246
Base-Backbone interact. energy: 1.368
local terms energy: -61.215738
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -5.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -97.446943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.446943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.446943 (E_RNA)
where:
Base-Base interactions energy: -42.985
where: short stacking energy: -27.797
Base-Backbone interact. energy: -0.650
local terms energy: -53.811881
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -100.557677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.557677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.557677 (E_RNA)
where:
Base-Base interactions energy: -38.532
where: short stacking energy: -24.548
Base-Backbone interact. energy: -0.429
local terms energy: -61.596785
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: 2.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -85.664391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.664391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.664391 (E_RNA)
where:
Base-Base interactions energy: -25.422
where: short stacking energy: -25.422
Base-Backbone interact. energy: -0.504
local terms energy: -59.738387
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -87.041011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.041011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.041011 (E_RNA)
where:
Base-Base interactions energy: -35.809
where: short stacking energy: -31.558
Base-Backbone interact. energy: -0.156
local terms energy: -51.075268
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -209.886378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.886378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.886378 (E_RNA)
where:
Base-Base interactions energy: -118.932
where: short stacking energy: -72.783
Base-Backbone interact. energy: -0.320
local terms energy: -90.634328
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -21.357
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: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -239.702100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.702100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.702100 (E_RNA)
where:
Base-Base interactions energy: -161.308
where: short stacking energy: -63.656
Base-Backbone interact. energy: -0.447
local terms energy: -77.946159
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -18.142
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: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -181.854976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.854976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.854976 (E_RNA)
where:
Base-Base interactions energy: -108.178
where: short stacking energy: -56.292
Base-Backbone interact. energy: 1.127
local terms energy: -74.803739
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -13.830
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: 1
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -204.033941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.033941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.033941 (E_RNA)
where:
Base-Base interactions energy: -128.082
where: short stacking energy: -58.100
Base-Backbone interact. energy: -0.818
local terms energy: -75.133758
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -20.152
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -11.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -135.949492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.949492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.949492 (E_RNA)
where:
Base-Base interactions energy: -70.959
where: short stacking energy: -44.089
Base-Backbone interact. energy: 0.515
local terms energy: -65.505086
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -114.819984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.819984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.819984 (E_RNA)
where:
Base-Base interactions energy: -57.844
where: short stacking energy: -27.675
Base-Backbone interact. energy: 0.209
local terms energy: -57.185063
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: 0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -102.183313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.183313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.183313 (E_RNA)
where:
Base-Base interactions energy: -53.938
where: short stacking energy: -27.229
Base-Backbone interact. energy: -0.025
local terms energy: -48.219965
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: 5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -109.715015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.715015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.715015 (E_RNA)
where:
Base-Base interactions energy: -42.096
where: short stacking energy: -41.315
Base-Backbone interact. energy: -1.236
local terms energy: -66.383323
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -9.887
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: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -99.112652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.112652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.112652 (E_RNA)
where:
Base-Base interactions energy: -36.400
where: short stacking energy: -36.400
Base-Backbone interact. energy: -0.225
local terms energy: -62.487411
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -102.829211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.829211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.829211 (E_RNA)
where:
Base-Base interactions energy: -42.593
where: short stacking energy: -26.447
Base-Backbone interact. energy: -0.094
local terms energy: -60.142632
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -272.085393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.085393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.085393 (E_RNA)
where:
Base-Base interactions energy: -187.085
where: short stacking energy: -76.994
Base-Backbone interact. energy: 1.696
local terms energy: -86.695772
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -211.671475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.671475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.671475 (E_RNA)
where:
Base-Base interactions energy: -136.025
where: short stacking energy: -54.135
Base-Backbone interact. energy: -0.589
local terms energy: -75.057726
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -3.838
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -189.684703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.684703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.684703 (E_RNA)
where:
Base-Base interactions energy: -121.159
where: short stacking energy: -60.272
Base-Backbone interact. energy: -0.103
local terms energy: -68.422541
where:
bonds (distance) C4'-P energy: -7.961
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -9.859
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: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -153.025467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.025467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.025467 (E_RNA)
where:
Base-Base interactions energy: -75.612
where: short stacking energy: -43.404
Base-Backbone interact. energy: 0.511
local terms energy: -77.924301
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -11.180
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: 5, replica: 4
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -116.851665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.851665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.851665 (E_RNA)
where:
Base-Base interactions energy: -53.348
where: short stacking energy: -49.017
Base-Backbone interact. energy: -0.094
local terms energy: -63.410440
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -111.400506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.400506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.400506 (E_RNA)
where:
Base-Base interactions energy: -46.512
where: short stacking energy: -30.179
Base-Backbone interact. energy: -2.098
local terms energy: -62.790765
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -110.025780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.025780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.025780 (E_RNA)
where:
Base-Base interactions energy: -39.405
where: short stacking energy: -27.026
Base-Backbone interact. energy: -0.180
local terms energy: -70.440689
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -105.024676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.024676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.024676 (E_RNA)
where:
Base-Base interactions energy: -50.843
where: short stacking energy: -36.183
Base-Backbone interact. energy: -0.380
local terms energy: -53.802045
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -6.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -98.182917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.182917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.182917 (E_RNA)
where:
Base-Base interactions energy: -37.100
where: short stacking energy: -32.556
Base-Backbone interact. energy: -0.213
local terms energy: -60.869960
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -89.522398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.522398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.522398 (E_RNA)
where:
Base-Base interactions energy: -32.790
where: short stacking energy: -26.271
Base-Backbone interact. energy: 1.186
local terms energy: -57.918962
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -5.039
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -247.235171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.235171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.235171 (E_RNA)
where:
Base-Base interactions energy: -162.088
where: short stacking energy: -60.839
Base-Backbone interact. energy: 0.699
local terms energy: -85.845542
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -14.029
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: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -229.632711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.632711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.632711 (E_RNA)
where:
Base-Base interactions energy: -153.326
where: short stacking energy: -65.200
Base-Backbone interact. energy: -0.146
local terms energy: -76.160551
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -16.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -198.353822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.353822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.353822 (E_RNA)
where:
Base-Base interactions energy: -116.595
where: short stacking energy: -58.181
Base-Backbone interact. energy: -0.400
local terms energy: -81.359198
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -12.600
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: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -144.805823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.805823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.805823 (E_RNA)
where:
Base-Base interactions energy: -75.333
where: short stacking energy: -50.140
Base-Backbone interact. energy: -0.471
local terms energy: -69.001246
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -9.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -131.875396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.875396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.875396 (E_RNA)
where:
Base-Base interactions energy: -58.761
where: short stacking energy: -49.325
Base-Backbone interact. energy: 0.832
local terms energy: -73.946513
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -122.704648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.704648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.704648 (E_RNA)
where:
Base-Base interactions energy: -63.130
where: short stacking energy: -43.390
Base-Backbone interact. energy: -0.598
local terms energy: -58.976030
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -5.738
tors. eta vs tors. theta energy: -4.224
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: 9
Temperature: 1.200000
Total energy: -108.580976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.580976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.580976 (E_RNA)
where:
Base-Base interactions energy: -55.798
where: short stacking energy: -40.072
Base-Backbone interact. energy: -0.393
local terms energy: -52.390139
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -4.144
tors. eta vs tors. theta energy: -5.368
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: 9
Temperature: 1.250000
Total energy: -133.603162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.603162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.603162 (E_RNA)
where:
Base-Base interactions energy: -65.465
where: short stacking energy: -32.392
Base-Backbone interact. energy: -0.317
local terms energy: -67.821217
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -7.509
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: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -82.182716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.182716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.182716 (E_RNA)
where:
Base-Base interactions energy: -24.580
where: short stacking energy: -23.654
Base-Backbone interact. energy: -0.348
local terms energy: -57.255006
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -91.596783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.596783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.596783 (E_RNA)
where:
Base-Base interactions energy: -40.344
where: short stacking energy: -20.476
Base-Backbone interact. energy: -1.371
local terms energy: -49.881172
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: 3.520
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: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -255.189274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.189274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.189274 (E_RNA)
where:
Base-Base interactions energy: -174.304
where: short stacking energy: -76.271
Base-Backbone interact. energy: 0.186
local terms energy: -81.071502
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -250.232435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.232435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.232435 (E_RNA)
where:
Base-Base interactions energy: -169.317
where: short stacking energy: -75.213
Base-Backbone interact. energy: 0.308
local terms energy: -81.223189
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -195.173676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.173676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.173676 (E_RNA)
where:
Base-Base interactions energy: -117.516
where: short stacking energy: -52.811
Base-Backbone interact. energy: -0.616
local terms energy: -77.042372
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -11.505
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: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -130.316065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.316065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.316065 (E_RNA)
where:
Base-Base interactions energy: -61.081
where: short stacking energy: -41.013
Base-Backbone interact. energy: -0.023
local terms energy: -69.212051
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -8.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -134.825295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.825295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.825295 (E_RNA)
where:
Base-Base interactions energy: -64.561
where: short stacking energy: -48.792
Base-Backbone interact. energy: -0.251
local terms energy: -70.013248
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -7.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -127.632402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.632402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.632402 (E_RNA)
where:
Base-Base interactions energy: -57.393
where: short stacking energy: -37.049
Base-Backbone interact. energy: 0.185
local terms energy: -70.424217
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -10.919
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: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -136.739530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.739530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.739530 (E_RNA)
where:
Base-Base interactions energy: -69.025
where: short stacking energy: -45.938
Base-Backbone interact. energy: -0.260
local terms energy: -67.454218
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -8.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -97.406677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.406677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.406677 (E_RNA)
where:
Base-Base interactions energy: -31.389
where: short stacking energy: -29.924
Base-Backbone interact. energy: 1.321
local terms energy: -67.338078
where:
bonds (distance) C4'-P energy: -19.425
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -9.288
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: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -101.128287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.128287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.128287 (E_RNA)
where:
Base-Base interactions energy: -40.877
where: short stacking energy: -26.247
Base-Backbone interact. energy: -0.150
local terms energy: -60.100572
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -97.874625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.874625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.874625 (E_RNA)
where:
Base-Base interactions energy: -32.525
where: short stacking energy: -32.525
Base-Backbone interact. energy: -0.361
local terms energy: -64.988727
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -0.903
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: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -261.144195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.144195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.144195 (E_RNA)
where:
Base-Base interactions energy: -175.335
where: short stacking energy: -75.121
Base-Backbone interact. energy: -0.080
local terms energy: -85.729058
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -271.162012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.162012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.162012 (E_RNA)
where:
Base-Base interactions energy: -189.637
where: short stacking energy: -75.475
Base-Backbone interact. energy: -0.171
local terms energy: -81.354505
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -13.889
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: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -189.954995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.954995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.954995 (E_RNA)
where:
Base-Base interactions energy: -115.363
where: short stacking energy: -54.734
Base-Backbone interact. energy: -0.086
local terms energy: -74.505639
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -5.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -171.686997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.686997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.686997 (E_RNA)
where:
Base-Base interactions energy: -92.731
where: short stacking energy: -40.074
Base-Backbone interact. energy: -0.752
local terms energy: -78.203624
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -11.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -124.612443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.612443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.612443 (E_RNA)
where:
Base-Base interactions energy: -48.785
where: short stacking energy: -40.158
Base-Backbone interact. energy: -0.766
local terms energy: -75.060995
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -12.177
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: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -166.581616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.581616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.581616 (E_RNA)
where:
Base-Base interactions energy: -102.322
where: short stacking energy: -43.530
Base-Backbone interact. energy: 1.514
local terms energy: -65.773509
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -8.484
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: 7, replica: 3
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -102.512423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.512423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.512423 (E_RNA)
where:
Base-Base interactions energy: -43.920
where: short stacking energy: -36.386
Base-Backbone interact. energy: -0.771
local terms energy: -57.821163
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -2.793
tors. eta vs tors. theta energy: -3.627
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: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -98.642886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.642886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.642886 (E_RNA)
where:
Base-Base interactions energy: -35.613
where: short stacking energy: -35.417
Base-Backbone interact. energy: -0.053
local terms energy: -62.977615
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -10.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -95.248239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.248239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.248239 (E_RNA)
where:
Base-Base interactions energy: -35.215
where: short stacking energy: -26.050
Base-Backbone interact. energy: 2.527
local terms energy: -62.559502
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -4.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -81.872301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.872301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.872301 (E_RNA)
where:
Base-Base interactions energy: -25.813
where: short stacking energy: -24.408
Base-Backbone interact. energy: -0.240
local terms energy: -55.818804
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -17.810
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -1.278
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: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -277.365774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.365774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.365774 (E_RNA)
where:
Base-Base interactions energy: -190.790
where: short stacking energy: -67.262
Base-Backbone interact. energy: -0.425
local terms energy: -86.151383
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -13.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -261.842376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.842376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.842376 (E_RNA)
where:
Base-Base interactions energy: -172.819
where: short stacking energy: -60.931
Base-Backbone interact. energy: -1.090
local terms energy: -87.933061
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -21.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -196.404033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.404033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.404033 (E_RNA)
where:
Base-Base interactions energy: -122.038
where: short stacking energy: -63.964
Base-Backbone interact. energy: -0.086
local terms energy: -74.280428
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -183.665924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.665924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.665924 (E_RNA)
where:
Base-Base interactions energy: -110.126
where: short stacking energy: -53.842
Base-Backbone interact. energy: -0.513
local terms energy: -73.025995
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -10.019
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: 5, replica: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -223.017537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.017537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.017537 (E_RNA)
where:
Base-Base interactions energy: -143.512
where: short stacking energy: -64.376
Base-Backbone interact. energy: -0.185
local terms energy: -79.320695
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -110.664883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.664883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.664883 (E_RNA)
where:
Base-Base interactions energy: -45.965
where: short stacking energy: -45.965
Base-Backbone interact. energy: -0.103
local terms energy: -64.597288
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -143.722038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.722038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.722038 (E_RNA)
where:
Base-Base interactions energy: -79.891
where: short stacking energy: -37.461
Base-Backbone interact. energy: -0.470
local terms energy: -63.361263
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -12.931
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: 8, replica: 3
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -99.885762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.885762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.885762 (E_RNA)
where:
Base-Base interactions energy: -35.122
where: short stacking energy: -35.122
Base-Backbone interact. energy: -0.173
local terms energy: -64.590950
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -92.027922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.027922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.027922 (E_RNA)
where:
Base-Base interactions energy: -36.251
where: short stacking energy: -19.639
Base-Backbone interact. energy: -0.451
local terms energy: -55.326080
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: 2.145
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: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -92.626986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.626986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.626986 (E_RNA)
where:
Base-Base interactions energy: -24.804
where: short stacking energy: -24.804
Base-Backbone interact. energy: 1.343
local terms energy: -69.165755
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -282.383947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.383947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.383947 (E_RNA)
where:
Base-Base interactions energy: -192.855
where: short stacking energy: -72.804
Base-Backbone interact. energy: -0.197
local terms energy: -89.331640
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -19.306
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -19.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -262.025981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.025981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.025981 (E_RNA)
where:
Base-Base interactions energy: -172.782
where: short stacking energy: -72.622
Base-Backbone interact. energy: -0.115
local terms energy: -89.129314
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -22.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -193.732991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.732991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.732991 (E_RNA)
where:
Base-Base interactions energy: -116.842
where: short stacking energy: -57.591
Base-Backbone interact. energy: -0.210
local terms energy: -76.680765
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -12.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -224.303219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.303219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.303219 (E_RNA)
where:
Base-Base interactions energy: -142.846
where: short stacking energy: -57.468
Base-Backbone interact. energy: -0.056
local terms energy: -81.400980
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -194.817198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.817198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.817198 (E_RNA)
where:
Base-Base interactions energy: -123.828
where: short stacking energy: -63.656
Base-Backbone interact. energy: -0.258
local terms energy: -70.731602
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -2.450
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -153.334734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.334734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.334734 (E_RNA)
where:
Base-Base interactions energy: -72.432
where: short stacking energy: -49.246
Base-Backbone interact. energy: -0.649
local terms energy: -80.254345
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -13.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -111.800726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.800726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.800726 (E_RNA)
where:
Base-Base interactions energy: -37.762
where: short stacking energy: -36.924
Base-Backbone interact. energy: -0.103
local terms energy: -73.935779
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -12.287
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: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -100.347557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.347557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.347557 (E_RNA)
where:
Base-Base interactions energy: -48.344
where: short stacking energy: -18.869
Base-Backbone interact. energy: -0.735
local terms energy: -51.268508
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -6.412
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: 9, replica: 3
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -97.374586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.374586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.374586 (E_RNA)
where:
Base-Base interactions energy: -44.840
where: short stacking energy: -17.064
Base-Backbone interact. energy: 1.003
local terms energy: -53.537883
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: 4.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -87.055122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.055122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.055122 (E_RNA)
where:
Base-Base interactions energy: -25.801
where: short stacking energy: -25.307
Base-Backbone interact. energy: -0.259
local terms energy: -60.995818
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: 3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -267.861951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.861951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.861951 (E_RNA)
where:
Base-Base interactions energy: -182.687
where: short stacking energy: -76.173
Base-Backbone interact. energy: 0.755
local terms energy: -85.930279
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -22.783
flat angles P-C4'-P energy: -12.818
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: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -265.702010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.702010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.702010 (E_RNA)
where:
Base-Base interactions energy: -184.516
where: short stacking energy: -63.983
Base-Backbone interact. energy: -0.296
local terms energy: -80.890628
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -14.688
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: 3, replica: 8
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -243.857851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.857851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.857851 (E_RNA)
where:
Base-Base interactions energy: -171.174
where: short stacking energy: -68.457
Base-Backbone interact. energy: 0.411
local terms energy: -73.095148
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -166.316457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.316457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.316457 (E_RNA)
where:
Base-Base interactions energy: -95.272
where: short stacking energy: -42.882
Base-Backbone interact. energy: -0.212
local terms energy: -70.833079
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -6.700
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: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -209.100367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.100367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.100367 (E_RNA)
where:
Base-Base interactions energy: -129.409
where: short stacking energy: -78.823
Base-Backbone interact. energy: 0.968
local terms energy: -80.659848
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -23.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -177.706775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.706775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.706775 (E_RNA)
where:
Base-Base interactions energy: -113.232
where: short stacking energy: -41.200
Base-Backbone interact. energy: 1.024
local terms energy: -65.499534
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -10.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -131.502108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.502108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.502108 (E_RNA)
where:
Base-Base interactions energy: -66.720
where: short stacking energy: -40.240
Base-Backbone interact. energy: -0.184
local terms energy: -64.598819
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -11.494
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: 4
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -100.552541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.552541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.552541 (E_RNA)
where:
Base-Base interactions energy: -45.029
where: short stacking energy: -43.644
Base-Backbone interact. energy: -0.134
local terms energy: -55.389194
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -3.362
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -97.482181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.482181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.482181 (E_RNA)
where:
Base-Base interactions energy: -43.389
where: short stacking energy: -38.331
Base-Backbone interact. energy: -0.126
local terms energy: -53.968047
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -5.673
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: 3
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -106.828518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.828518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.828518 (E_RNA)
where:
Base-Base interactions energy: -48.944
where: short stacking energy: -37.300
Base-Backbone interact. energy: -0.152
local terms energy: -57.732653
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -4.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -268.234197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.234197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.234197 (E_RNA)
where:
Base-Base interactions energy: -178.196
where: short stacking energy: -70.032
Base-Backbone interact. energy: -0.161
local terms energy: -89.876827
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -21.328
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -21.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -244.462135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.462135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.462135 (E_RNA)
where:
Base-Base interactions energy: -150.719
where: short stacking energy: -70.528
Base-Backbone interact. energy: -0.171
local terms energy: -93.572674
where:
bonds (distance) C4'-P energy: -19.061
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -25.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -234.956943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.956943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.956943 (E_RNA)
where:
Base-Base interactions energy: -154.908
where: short stacking energy: -68.341
Base-Backbone interact. energy: -0.029
local terms energy: -80.019711
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -18.237
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: 9
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -189.509791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.509791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.509791 (E_RNA)
where:
Base-Base interactions energy: -119.411
where: short stacking energy: -58.542
Base-Backbone interact. energy: -0.102
local terms energy: -69.997230
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -12.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -205.382689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.382689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.382689 (E_RNA)
where:
Base-Base interactions energy: -125.194
where: short stacking energy: -53.602
Base-Backbone interact. energy: -0.248
local terms energy: -79.940924
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -15.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -200.459799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.459799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.459799 (E_RNA)
where:
Base-Base interactions energy: -124.147
where: short stacking energy: -56.116
Base-Backbone interact. energy: 0.823
local terms energy: -77.136240
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -11.790
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: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -105.686683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.686683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.686683 (E_RNA)
where:
Base-Base interactions energy: -46.352
where: short stacking energy: -26.659
Base-Backbone interact. energy: -0.286
local terms energy: -59.049012
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -100.440866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.440866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.440866 (E_RNA)
where:
Base-Base interactions energy: -30.669
where: short stacking energy: -20.032
Base-Backbone interact. energy: -0.701
local terms energy: -69.071033
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -19.564
flat angles C4'-P-C4' energy: -19.265
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -96.464922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.464922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.464922 (E_RNA)
where:
Base-Base interactions energy: -34.679
where: short stacking energy: -33.220
Base-Backbone interact. energy: -0.129
local terms energy: -61.657001
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -7.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -98.446494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.446494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.446494 (E_RNA)
where:
Base-Base interactions energy: -50.126
where: short stacking energy: -33.261
Base-Backbone interact. energy: -0.139
local terms energy: -48.181901
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -290.374407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.374407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.374407 (E_RNA)
where:
Base-Base interactions energy: -192.465
where: short stacking energy: -93.458
Base-Backbone interact. energy: -0.322
local terms energy: -97.587267
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -26.559
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: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -266.266574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.266574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.266574 (E_RNA)
where:
Base-Base interactions energy: -175.579
where: short stacking energy: -73.872
Base-Backbone interact. energy: -0.050
local terms energy: -90.637288
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -22.897
flat angles P-C4'-P energy: -4.795
tors. eta vs tors. theta energy: -23.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -227.737488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.737488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.737488 (E_RNA)
where:
Base-Base interactions energy: -150.520
where: short stacking energy: -55.569
Base-Backbone interact. energy: -0.186
local terms energy: -77.030745
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -216.205245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.205245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.205245 (E_RNA)
where:
Base-Base interactions energy: -135.381
where: short stacking energy: -58.783
Base-Backbone interact. energy: -0.262
local terms energy: -80.562609
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -209.533197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.533197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.533197 (E_RNA)
where:
Base-Base interactions energy: -130.683
where: short stacking energy: -57.423
Base-Backbone interact. energy: -1.226
local terms energy: -77.624529
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -17.913
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -12.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -235.035578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.035578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.035578 (E_RNA)
where:
Base-Base interactions energy: -158.068
where: short stacking energy: -71.045
Base-Backbone interact. energy: -0.122
local terms energy: -76.845100
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -115.924911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.924911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.924911 (E_RNA)
where:
Base-Base interactions energy: -49.391
where: short stacking energy: -44.374
Base-Backbone interact. energy: -0.339
local terms energy: -66.195768
where:
bonds (distance) C4'-P energy: -22.069
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -7.167
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: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -92.827331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.827331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.827331 (E_RNA)
where:
Base-Base interactions energy: -27.629
where: short stacking energy: -26.392
Base-Backbone interact. energy: -0.270
local terms energy: -64.927810
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -6.185
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: 3
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -89.902325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.902325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.902325 (E_RNA)
where:
Base-Base interactions energy: -31.164
where: short stacking energy: -31.164
Base-Backbone interact. energy: -0.028
local terms energy: -58.709998
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -86.376168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.376168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.376168 (E_RNA)
where:
Base-Base interactions energy: -27.587
where: short stacking energy: -19.059
Base-Backbone interact. energy: -0.109
local terms energy: -58.680620
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -294.107668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.107668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.107668 (E_RNA)
where:
Base-Base interactions energy: -198.692
where: short stacking energy: -81.024
Base-Backbone interact. energy: -0.669
local terms energy: -94.747187
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -22.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -264.923707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.923707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.923707 (E_RNA)
where:
Base-Base interactions energy: -180.635
where: short stacking energy: -69.045
Base-Backbone interact. energy: -0.103
local terms energy: -84.185705
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -20.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -242.988787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.988787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.988787 (E_RNA)
where:
Base-Base interactions energy: -154.449
where: short stacking energy: -72.075
Base-Backbone interact. energy: -0.008
local terms energy: -88.531874
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -23.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -234.690013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.690013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.690013 (E_RNA)
where:
Base-Base interactions energy: -148.593
where: short stacking energy: -61.174
Base-Backbone interact. energy: -0.823
local terms energy: -85.273776
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -13.659
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: 5, replica: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -230.327426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.327426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.327426 (E_RNA)
where:
Base-Base interactions energy: -147.153
where: short stacking energy: -70.357
Base-Backbone interact. energy: -0.293
local terms energy: -82.881912
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -20.106
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -15.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -242.004507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.004507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.004507 (E_RNA)
where:
Base-Base interactions energy: -164.846
where: short stacking energy: -67.839
Base-Backbone interact. energy: -0.683
local terms energy: -76.475822
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -4.669
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: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -97.875856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.875856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.875856 (E_RNA)
where:
Base-Base interactions energy: -40.140
where: short stacking energy: -35.413
Base-Backbone interact. energy: -0.111
local terms energy: -57.624935
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -4.716
tors. eta vs tors. theta energy: -1.299
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: 3
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -98.723384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.723384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.723384 (E_RNA)
where:
Base-Base interactions energy: -42.761
where: short stacking energy: -35.735
Base-Backbone interact. energy: 0.536
local terms energy: -56.498442
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -87.894154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.894154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.894154 (E_RNA)
where:
Base-Base interactions energy: -36.014
where: short stacking energy: -31.400
Base-Backbone interact. energy: -0.063
local terms energy: -51.817086
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -0.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -91.558858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.558858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.558858 (E_RNA)
where:
Base-Base interactions energy: -30.353
where: short stacking energy: -28.156
Base-Backbone interact. energy: -0.522
local terms energy: -60.683819
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -6.998
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: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -296.385576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.385576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.385576 (E_RNA)
where:
Base-Base interactions energy: -202.795
where: short stacking energy: -91.602
Base-Backbone interact. energy: -0.007
local terms energy: -93.583941
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -21.043
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -27.381
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: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -261.279888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.279888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.279888 (E_RNA)
where:
Base-Base interactions energy: -172.098
where: short stacking energy: -70.413
Base-Backbone interact. energy: -0.118
local terms energy: -89.063694
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -19.572
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -22.227
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: 3, replica: 8
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -240.106092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.106092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.106092 (E_RNA)
where:
Base-Base interactions energy: -152.613
where: short stacking energy: -72.111
Base-Backbone interact. energy: -0.003
local terms energy: -87.489899
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -20.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -226.739389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.739389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.739389 (E_RNA)
where:
Base-Base interactions energy: -146.793
where: short stacking energy: -70.330
Base-Backbone interact. energy: 0.247
local terms energy: -80.192948
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -263.789610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.789610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.789610 (E_RNA)
where:
Base-Base interactions energy: -180.167
where: short stacking energy: -69.401
Base-Backbone interact. energy: -0.165
local terms energy: -83.457570
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -20.900
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: 6, replica: 1
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -222.588294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.588294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.588294 (E_RNA)
where:
Base-Base interactions energy: -147.021
where: short stacking energy: -64.518
Base-Backbone interact. energy: -0.763
local terms energy: -74.804914
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -96.419071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.419071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.419071 (E_RNA)
where:
Base-Base interactions energy: -34.667
where: short stacking energy: -28.687
Base-Backbone interact. energy: 0.324
local terms energy: -62.076138
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -18.648
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -2.949
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: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -102.074420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.074420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.074420 (E_RNA)
where:
Base-Base interactions energy: -35.956
where: short stacking energy: -33.716
Base-Backbone interact. energy: -0.039
local terms energy: -66.079502
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -87.263383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.263383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.263383 (E_RNA)
where:
Base-Base interactions energy: -28.115
where: short stacking energy: -25.499
Base-Backbone interact. energy: -0.484
local terms energy: -58.664128
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -94.671356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.671356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.671356 (E_RNA)
where:
Base-Base interactions energy: -27.760
where: short stacking energy: -27.470
Base-Backbone interact. energy: 0.557
local terms energy: -67.468483
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -11.131
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: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -290.981986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.981986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.981986 (E_RNA)
where:
Base-Base interactions energy: -197.681
where: short stacking energy: -88.477
Base-Backbone interact. energy: -0.392
local terms energy: -92.909301
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -11.308
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: 2, replica: 8
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -279.836134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.836134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.836134 (E_RNA)
where:
Base-Base interactions energy: -194.592
where: short stacking energy: -79.362
Base-Backbone interact. energy: 0.049
local terms energy: -85.293399
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -21.877
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: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -256.750720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.750720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.750720 (E_RNA)
where:
Base-Base interactions energy: -179.265
where: short stacking energy: -72.262
Base-Backbone interact. energy: 1.779
local terms energy: -79.264442
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -21.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -250.601837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.601837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.601837 (E_RNA)
where:
Base-Base interactions energy: -166.884
where: short stacking energy: -69.822
Base-Backbone interact. energy: -0.200
local terms energy: -83.517730
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -223.667754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.667754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.667754 (E_RNA)
where:
Base-Base interactions energy: -142.232
where: short stacking energy: -59.642
Base-Backbone interact. energy: 0.576
local terms energy: -82.011854
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -221.257483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.257483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.257483 (E_RNA)
where:
Base-Base interactions energy: -141.690
where: short stacking energy: -67.998
Base-Backbone interact. energy: -0.524
local terms energy: -79.043504
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -16.414
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: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -123.665801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.665801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.665801 (E_RNA)
where:
Base-Base interactions energy: -45.185
where: short stacking energy: -45.185
Base-Backbone interact. energy: -0.012
local terms energy: -78.468684
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -106.430155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.430155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.430155 (E_RNA)
where:
Base-Base interactions energy: -44.003
where: short stacking energy: -36.690
Base-Backbone interact. energy: -0.087
local terms energy: -62.340321
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -103.295353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.295353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.295353 (E_RNA)
where:
Base-Base interactions energy: -41.425
where: short stacking energy: -36.214
Base-Backbone interact. energy: 0.921
local terms energy: -62.791657
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -88.939502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.939502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.939502 (E_RNA)
where:
Base-Base interactions energy: -25.806
where: short stacking energy: -23.674
Base-Backbone interact. energy: -0.271
local terms energy: -62.862703
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -2.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -276.841391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.841391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.841391 (E_RNA)
where:
Base-Base interactions energy: -185.495
where: short stacking energy: -77.519
Base-Backbone interact. energy: -0.510
local terms energy: -90.836824
where:
bonds (distance) C4'-P energy: -20.290
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -23.635
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: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -279.776908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.776908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.776908 (E_RNA)
where:
Base-Base interactions energy: -187.991
where: short stacking energy: -79.408
Base-Backbone interact. energy: -0.175
local terms energy: -91.610523
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -21.733
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: 20
Temperature: 1.000000
Total energy: -273.383483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.383483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.383483 (E_RNA)
where:
Base-Base interactions energy: -185.200
where: short stacking energy: -69.513
Base-Backbone interact. energy: -0.707
local terms energy: -87.476605
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -247.817264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.817264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.817264 (E_RNA)
where:
Base-Base interactions energy: -167.880
where: short stacking energy: -66.518
Base-Backbone interact. energy: -0.606
local terms energy: -79.331826
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -221.008277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.008277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.008277 (E_RNA)
where:
Base-Base interactions energy: -151.893
where: short stacking energy: -72.427
Base-Backbone interact. energy: -0.139
local terms energy: -68.975875
where:
bonds (distance) C4'-P energy: -9.621
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -24.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -216.547764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.547764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.547764 (E_RNA)
where:
Base-Base interactions energy: -137.706
where: short stacking energy: -65.442
Base-Backbone interact. energy: -0.161
local terms energy: -78.680594
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -19.586
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: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -107.057128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.057128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.057128 (E_RNA)
where:
Base-Base interactions energy: -44.277
where: short stacking energy: -35.238
Base-Backbone interact. energy: -0.415
local terms energy: -62.364903
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -105.023415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.023415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.023415 (E_RNA)
where:
Base-Base interactions energy: -47.697
where: short stacking energy: -32.497
Base-Backbone interact. energy: -0.368
local terms energy: -56.958053
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -92.459413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.459413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.459413 (E_RNA)
where:
Base-Base interactions energy: -35.656
where: short stacking energy: -16.462
Base-Backbone interact. energy: 1.149
local terms energy: -57.952766
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -99.431906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.431906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.431906 (E_RNA)
where:
Base-Base interactions energy: -39.007
where: short stacking energy: -34.458
Base-Backbone interact. energy: -0.077
local terms energy: -60.348282
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -3.829
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -276.641901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.641901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.641901 (E_RNA)
where:
Base-Base interactions energy: -187.417
where: short stacking energy: -71.189
Base-Backbone interact. energy: -0.104
local terms energy: -89.120334
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -22.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -294.219312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.219312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.219312 (E_RNA)
where:
Base-Base interactions energy: -196.828
where: short stacking energy: -87.591
Base-Backbone interact. energy: -0.388
local terms energy: -97.003256
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -23.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -268.310967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.310967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.310967 (E_RNA)
where:
Base-Base interactions energy: -184.240
where: short stacking energy: -66.291
Base-Backbone interact. energy: -0.008
local terms energy: -84.063082
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -12.034
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: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -226.333224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.333224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.333224 (E_RNA)
where:
Base-Base interactions energy: -142.967
where: short stacking energy: -66.543
Base-Backbone interact. energy: 1.778
local terms energy: -85.144052
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -22.156
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -18.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -256.006999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.006999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.006999 (E_RNA)
where:
Base-Base interactions energy: -179.499
where: short stacking energy: -73.627
Base-Backbone interact. energy: -0.047
local terms energy: -76.461515
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -210.771074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.771074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.771074 (E_RNA)
where:
Base-Base interactions energy: -139.738
where: short stacking energy: -66.815
Base-Backbone interact. energy: 0.746
local terms energy: -71.778661
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -14.948
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: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -93.731080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.731080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.731080 (E_RNA)
where:
Base-Base interactions energy: -45.989
where: short stacking energy: -40.522
Base-Backbone interact. energy: -0.409
local terms energy: -47.333313
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -9.207
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -3.541
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: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -98.910623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.910623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.910623 (E_RNA)
where:
Base-Base interactions energy: -36.873
where: short stacking energy: -33.464
Base-Backbone interact. energy: -0.245
local terms energy: -61.792675
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -6.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -92.519324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.519324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.519324 (E_RNA)
where:
Base-Base interactions energy: -42.305
where: short stacking energy: -34.944
Base-Backbone interact. energy: -0.546
local terms energy: -49.668227
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -0.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -86.444737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.444737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.444737 (E_RNA)
where:
Base-Base interactions energy: -22.480
where: short stacking energy: -22.480
Base-Backbone interact. energy: -0.200
local terms energy: -63.765220
where:
bonds (distance) C4'-P energy: -20.026
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -298.561006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.561006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.561006 (E_RNA)
where:
Base-Base interactions energy: -205.928
where: short stacking energy: -87.790
Base-Backbone interact. energy: -0.789
local terms energy: -91.843841
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -24.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -269.618181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.618181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.618181 (E_RNA)
where:
Base-Base interactions energy: -180.808
where: short stacking energy: -72.026
Base-Backbone interact. energy: -0.156
local terms energy: -88.653906
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -23.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -252.169909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.169909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.169909 (E_RNA)
where:
Base-Base interactions energy: -161.285
where: short stacking energy: -76.196
Base-Backbone interact. energy: -0.012
local terms energy: -90.872200
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -8.389
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: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -251.346061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.346061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.346061 (E_RNA)
where:
Base-Base interactions energy: -169.438
where: short stacking energy: -63.098
Base-Backbone interact. energy: 0.500
local terms energy: -82.408967
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -22.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -269.155852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.155852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.155852 (E_RNA)
where:
Base-Base interactions energy: -181.375
where: short stacking energy: -75.972
Base-Backbone interact. energy: 0.589
local terms energy: -88.369501
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -21.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -212.460338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.460338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.460338 (E_RNA)
where:
Base-Base interactions energy: -144.262
where: short stacking energy: -62.638
Base-Backbone interact. energy: 0.698
local terms energy: -68.896321
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -14.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -112.153052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.153052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.153052 (E_RNA)
where:
Base-Base interactions energy: -43.460
where: short stacking energy: -43.150
Base-Backbone interact. energy: -0.109
local terms energy: -68.584116
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -8.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -96.838204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.838204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.838204 (E_RNA)
where:
Base-Base interactions energy: -44.060
where: short stacking energy: -22.462
Base-Backbone interact. energy: -0.159
local terms energy: -52.619005
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -10.319
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -94.115550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.115550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.115550 (E_RNA)
where:
Base-Base interactions energy: -37.368
where: short stacking energy: -33.813
Base-Backbone interact. energy: 1.274
local terms energy: -58.021512
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -8.343
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: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -87.325584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.325584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.325584 (E_RNA)
where:
Base-Base interactions energy: -30.569
where: short stacking energy: -24.455
Base-Backbone interact. energy: -0.634
local terms energy: -56.122650
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: 0.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -292.979191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.979191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.979191 (E_RNA)
where:
Base-Base interactions energy: -186.667
where: short stacking energy: -91.365
Base-Backbone interact. energy: -0.013
local terms energy: -106.298918
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -21.959
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -30.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -267.863459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.863459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.863459 (E_RNA)
where:
Base-Base interactions energy: -181.692
where: short stacking energy: -68.641
Base-Backbone interact. energy: -1.043
local terms energy: -85.128454
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -20.019
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -18.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -246.067970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.067970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.067970 (E_RNA)
where:
Base-Base interactions energy: -163.222
where: short stacking energy: -74.890
Base-Backbone interact. energy: -0.074
local terms energy: -82.771863
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -21.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -284.712489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.712489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.712489 (E_RNA)
where:
Base-Base interactions energy: -188.336
where: short stacking energy: -84.013
Base-Backbone interact. energy: -0.017
local terms energy: -96.359995
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -21.995
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -26.696
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: 23
Temperature: 1.100000
Total energy: -251.628252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.628252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.628252 (E_RNA)
where:
Base-Base interactions energy: -168.363
where: short stacking energy: -66.176
Base-Backbone interact. energy: -0.225
local terms energy: -83.040076
where:
bonds (distance) C4'-P energy: -20.083
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -207.913105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.913105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.913105 (E_RNA)
where:
Base-Base interactions energy: -129.717
where: short stacking energy: -59.160
Base-Backbone interact. energy: -0.146
local terms energy: -78.050154
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -108.056492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.056492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.056492 (E_RNA)
where:
Base-Base interactions energy: -40.659
where: short stacking energy: -38.379
Base-Backbone interact. energy: -0.029
local terms energy: -67.368689
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -11.924
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: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -95.180336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.180336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.180336 (E_RNA)
where:
Base-Base interactions energy: -29.530
where: short stacking energy: -28.112
Base-Backbone interact. energy: -1.222
local terms energy: -64.429002
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -5.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -102.228068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.228068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.228068 (E_RNA)
where:
Base-Base interactions energy: -47.581
where: short stacking energy: -30.142
Base-Backbone interact. energy: -0.341
local terms energy: -54.306081
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: 3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -103.458406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.458406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.458406 (E_RNA)
where:
Base-Base interactions energy: -34.372
where: short stacking energy: -31.307
Base-Backbone interact. energy: -0.052
local terms energy: -69.034875
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -5.133
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: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -293.988422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.988422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.988422 (E_RNA)
where:
Base-Base interactions energy: -189.476
where: short stacking energy: -94.403
Base-Backbone interact. energy: -0.071
local terms energy: -104.441255
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -21.553
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -13.920
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: 2, replica: 8
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -273.286965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.286965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.286965 (E_RNA)
where:
Base-Base interactions energy: -183.443
where: short stacking energy: -67.495
Base-Backbone interact. energy: -0.061
local terms energy: -89.782588
where:
bonds (distance) C4'-P energy: -19.521
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -286.980304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.980304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.980304 (E_RNA)
where:
Base-Base interactions energy: -186.221
where: short stacking energy: -86.234
Base-Backbone interact. energy: -0.006
local terms energy: -100.753430
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -25.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -244.502936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.502936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.502936 (E_RNA)
where:
Base-Base interactions energy: -167.810
where: short stacking energy: -72.974
Base-Backbone interact. energy: -0.887
local terms energy: -75.805808
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -18.462
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: 9
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -205.817595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.817595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.817595 (E_RNA)
where:
Base-Base interactions energy: -128.130
where: short stacking energy: -52.197
Base-Backbone interact. energy: -0.855
local terms energy: -76.832549
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -222.488339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.488339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.488339 (E_RNA)
where:
Base-Base interactions energy: -143.398
where: short stacking energy: -66.145
Base-Backbone interact. energy: -0.897
local terms energy: -78.193119
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -19.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -128.036325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.036325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.036325 (E_RNA)
where:
Base-Base interactions energy: -63.261
where: short stacking energy: -33.571
Base-Backbone interact. energy: -0.416
local terms energy: -64.359414
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -9.824
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -3.056
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: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -114.885373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.885373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.885373 (E_RNA)
where:
Base-Base interactions energy: -62.028
where: short stacking energy: -39.841
Base-Backbone interact. energy: -0.340
local terms energy: -52.517868
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -8.127
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -95.162322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.162322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.162322 (E_RNA)
where:
Base-Base interactions energy: -42.359
where: short stacking energy: -42.359
Base-Backbone interact. energy: -0.193
local terms energy: -52.609984
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -5.449
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: 3
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -89.321173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.321173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.321173 (E_RNA)
where:
Base-Base interactions energy: -41.383
where: short stacking energy: -22.393
Base-Backbone interact. energy: 2.670
local terms energy: -50.607890
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -9.095
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -3.379
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: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -291.337904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.337904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.337904 (E_RNA)
where:
Base-Base interactions energy: -196.512
where: short stacking energy: -90.288
Base-Backbone interact. energy: -0.050
local terms energy: -94.776589
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -24.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -273.619797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.619797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.619797 (E_RNA)
where:
Base-Base interactions energy: -192.814
where: short stacking energy: -72.187
Base-Backbone interact. energy: 0.650
local terms energy: -81.455779
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -17.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -282.952104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.952104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.952104 (E_RNA)
where:
Base-Base interactions energy: -188.749
where: short stacking energy: -92.489
Base-Backbone interact. energy: -0.045
local terms energy: -94.158535
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -28.393
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: 25
Temperature: 1.050000
Total energy: -250.912547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.912547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.912547 (E_RNA)
where:
Base-Base interactions energy: -170.625
where: short stacking energy: -68.708
Base-Backbone interact. energy: -0.197
local terms energy: -80.090428
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -217.309621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.309621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.309621 (E_RNA)
where:
Base-Base interactions energy: -138.157
where: short stacking energy: -60.658
Base-Backbone interact. energy: -0.557
local terms energy: -78.595568
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -15.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -209.538653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.538653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.538653 (E_RNA)
where:
Base-Base interactions energy: -134.680
where: short stacking energy: -57.586
Base-Backbone interact. energy: -0.801
local terms energy: -74.057449
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -13.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -96.779119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.779119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.779119 (E_RNA)
where:
Base-Base interactions energy: -27.796
where: short stacking energy: -24.509
Base-Backbone interact. energy: -0.193
local terms energy: -68.790127
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -103.333398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.333398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.333398 (E_RNA)
where:
Base-Base interactions energy: -37.551
where: short stacking energy: -31.529
Base-Backbone interact. energy: -0.051
local terms energy: -65.730667
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -96.004585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.004585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.004585 (E_RNA)
where:
Base-Base interactions energy: -34.261
where: short stacking energy: -33.118
Base-Backbone interact. energy: 0.038
local terms energy: -61.782315
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -2.240
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: 3
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -85.822629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.822629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.822629 (E_RNA)
where:
Base-Base interactions energy: -26.600
where: short stacking energy: -13.181
Base-Backbone interact. energy: -0.268
local terms energy: -58.954939
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: 4.281
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: 1, replica: 8
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -287.128127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.128127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.128127 (E_RNA)
where:
Base-Base interactions energy: -198.960
where: short stacking energy: -76.619
Base-Backbone interact. energy: -0.203
local terms energy: -87.965247
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -21.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -289.076565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.076565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.076565 (E_RNA)
where:
Base-Base interactions energy: -197.790
where: short stacking energy: -84.145
Base-Backbone interact. energy: 0.221
local terms energy: -91.507435
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -25.208
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: 10
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -271.688896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.688896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.688896 (E_RNA)
where:
Base-Base interactions energy: -177.546
where: short stacking energy: -83.621
Base-Backbone interact. energy: -0.029
local terms energy: -94.114156
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -20.485
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -24.337
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: 26
Temperature: 1.050000
Total energy: -247.023200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.023200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.023200 (E_RNA)
where:
Base-Base interactions energy: -160.645
where: short stacking energy: -70.346
Base-Backbone interact. energy: -0.139
local terms energy: -86.239707
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -220.792931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.792931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.792931 (E_RNA)
where:
Base-Base interactions energy: -144.350
where: short stacking energy: -68.292
Base-Backbone interact. energy: 1.422
local terms energy: -77.864871
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -16.610
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: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -219.229009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.229009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.229009 (E_RNA)
where:
Base-Base interactions energy: -137.755
where: short stacking energy: -58.713
Base-Backbone interact. energy: -0.056
local terms energy: -81.417572
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -19.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -109.759873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.759873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.759873 (E_RNA)
where:
Base-Base interactions energy: -45.412
where: short stacking energy: -43.565
Base-Backbone interact. energy: -0.358
local terms energy: -63.989835
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -6.103
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -7.440
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: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -93.589756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.589756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.589756 (E_RNA)
where:
Base-Base interactions energy: -31.408
where: short stacking energy: -17.139
Base-Backbone interact. energy: 0.815
local terms energy: -62.996339
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -0.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -92.316612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.316612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.316612 (E_RNA)
where:
Base-Base interactions energy: -42.394
where: short stacking energy: -24.977
Base-Backbone interact. energy: -0.390
local terms energy: -49.532362
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -9.210
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -83.527101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.527101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.527101 (E_RNA)
where:
Base-Base interactions energy: -34.681
where: short stacking energy: -19.306
Base-Backbone interact. energy: -0.692
local terms energy: -48.153437
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -1.661
tors. eta vs tors. theta energy: 2.297
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: 8
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -282.415266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.415266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.415266 (E_RNA)
where:
Base-Base interactions energy: -198.421
where: short stacking energy: -79.299
Base-Backbone interact. energy: -0.002
local terms energy: -83.992837
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -18.254
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -284.146833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.146833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.146833 (E_RNA)
where:
Base-Base interactions energy: -189.954
where: short stacking energy: -82.776
Base-Backbone interact. energy: -0.116
local terms energy: -94.076203
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -24.859
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: 3, replica: 10
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -291.015597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.015597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.015597 (E_RNA)
where:
Base-Base interactions energy: -190.545
where: short stacking energy: -80.262
Base-Backbone interact. energy: -0.539
local terms energy: -99.931543
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -20.190
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -24.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -245.448625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.448625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.448625 (E_RNA)
where:
Base-Base interactions energy: -160.418
where: short stacking energy: -66.562
Base-Backbone interact. energy: -0.309
local terms energy: -84.722313
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -226.550898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.550898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.550898 (E_RNA)
where:
Base-Base interactions energy: -148.922
where: short stacking energy: -67.940
Base-Backbone interact. energy: -0.123
local terms energy: -77.505324
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -119.977622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.977622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.977622 (E_RNA)
where:
Base-Base interactions energy: -48.470
where: short stacking energy: -40.447
Base-Backbone interact. energy: 0.037
local terms energy: -71.544644
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -7.724
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: 7, replica: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -208.280982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.280982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.280982 (E_RNA)
where:
Base-Base interactions energy: -133.799
where: short stacking energy: -51.700
Base-Backbone interact. energy: 2.131
local terms energy: -76.613074
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -15.484
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: 8, replica: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -103.167839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.167839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.167839 (E_RNA)
where:
Base-Base interactions energy: -54.233
where: short stacking energy: -34.889
Base-Backbone interact. energy: -0.492
local terms energy: -48.442959
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -0.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -87.707534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.707534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.707534 (E_RNA)
where:
Base-Base interactions energy: -31.015
where: short stacking energy: -20.727
Base-Backbone interact. energy: -0.345
local terms energy: -56.347204
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -78.206767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.206767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.206767 (E_RNA)
where:
Base-Base interactions energy: -29.578
where: short stacking energy: -30.078
Base-Backbone interact. energy: -0.441
local terms energy: -48.187691
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -3.925
tors. eta vs tors. theta energy: 0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -304.478100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.478100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.478100 (E_RNA)
where:
Base-Base interactions energy: -205.933
where: short stacking energy: -95.989
Base-Backbone interact. energy: -0.056
local terms energy: -98.488646
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -26.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -272.714029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.714029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.714029 (E_RNA)
where:
Base-Base interactions energy: -181.268
where: short stacking energy: -77.473
Base-Backbone interact. energy: -0.792
local terms energy: -90.653982
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -20.754
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -275.118249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.118249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.118249 (E_RNA)
where:
Base-Base interactions energy: -181.884
where: short stacking energy: -80.044
Base-Backbone interact. energy: -0.064
local terms energy: -93.169919
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -18.159
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -21.933
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: 4, replica: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -241.726499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.726499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.726499 (E_RNA)
where:
Base-Base interactions energy: -155.272
where: short stacking energy: -75.980
Base-Backbone interact. energy: -0.004
local terms energy: -86.450743
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -230.541363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.541363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.541363 (E_RNA)
where:
Base-Base interactions energy: -153.341
where: short stacking energy: -63.153
Base-Backbone interact. energy: -0.384
local terms energy: -76.815970
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -115.557341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.557341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.557341 (E_RNA)
where:
Base-Base interactions energy: -47.545
where: short stacking energy: -46.227
Base-Backbone interact. energy: -0.053
local terms energy: -67.958799
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -11.589
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: 7, replica: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -188.976461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.976461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.976461 (E_RNA)
where:
Base-Base interactions energy: -117.219
where: short stacking energy: -61.063
Base-Backbone interact. energy: -0.206
local terms energy: -71.551271
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -10.394
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: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -95.693178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.693178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.693178 (E_RNA)
where:
Base-Base interactions energy: -35.287
where: short stacking energy: -33.444
Base-Backbone interact. energy: 0.218
local terms energy: -60.623758
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -11.320
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: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -91.876182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.876182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.876182 (E_RNA)
where:
Base-Base interactions energy: -28.275
where: short stacking energy: -28.275
Base-Backbone interact. energy: -0.098
local terms energy: -63.503787
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -6.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -93.986263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.986263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.986263 (E_RNA)
where:
Base-Base interactions energy: -43.954
where: short stacking energy: -16.793
Base-Backbone interact. energy: -0.093
local terms energy: -49.938730
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: 2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -303.178712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.178712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.178712 (E_RNA)
where:
Base-Base interactions energy: -204.051
where: short stacking energy: -81.840
Base-Backbone interact. energy: -0.063
local terms energy: -99.064698
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -18.970
tors. eta vs tors. theta energy: -25.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -277.291002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.291002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.291002 (E_RNA)
where:
Base-Base interactions energy: -184.207
where: short stacking energy: -72.553
Base-Backbone interact. energy: -0.003
local terms energy: -93.080559
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -22.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -282.677855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.677855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.677855 (E_RNA)
where:
Base-Base interactions energy: -182.399
where: short stacking energy: -89.322
Base-Backbone interact. energy: -0.033
local terms energy: -100.245485
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -19.596
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -29.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -245.699415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.699415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.699415 (E_RNA)
where:
Base-Base interactions energy: -160.782
where: short stacking energy: -72.868
Base-Backbone interact. energy: 1.296
local terms energy: -86.213436
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -221.710727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.710727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.710727 (E_RNA)
where:
Base-Base interactions energy: -136.532
where: short stacking energy: -57.765
Base-Backbone interact. energy: -0.238
local terms energy: -84.940613
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -202.078652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.078652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.078652 (E_RNA)
where:
Base-Base interactions energy: -125.463
where: short stacking energy: -48.822
Base-Backbone interact. energy: -0.019
local terms energy: -76.597195
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -18.348
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -11.388
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: 7, replica: 4
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -113.405439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.405439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.405439 (E_RNA)
where:
Base-Base interactions energy: -57.172
where: short stacking energy: -36.099
Base-Backbone interact. energy: 0.235
local terms energy: -56.468288
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -2.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -102.052261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.052261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.052261 (E_RNA)
where:
Base-Base interactions energy: -40.624
where: short stacking energy: -37.198
Base-Backbone interact. energy: -0.293
local terms energy: -61.134650
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -0.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -94.206669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.206669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.206669 (E_RNA)
where:
Base-Base interactions energy: -28.461
where: short stacking energy: -28.461
Base-Backbone interact. energy: 1.792
local terms energy: -67.537207
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -95.703850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.703850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.703850 (E_RNA)
where:
Base-Base interactions energy: -36.520
where: short stacking energy: -31.851
Base-Backbone interact. energy: -0.164
local terms energy: -59.020408
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -275.730817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.730817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.730817 (E_RNA)
where:
Base-Base interactions energy: -184.548
where: short stacking energy: -72.427
Base-Backbone interact. energy: -0.003
local terms energy: -91.180448
where:
bonds (distance) C4'-P energy: -20.202
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -19.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -293.738420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.738420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.738420 (E_RNA)
where:
Base-Base interactions energy: -203.417
where: short stacking energy: -84.079
Base-Backbone interact. energy: -0.085
local terms energy: -90.236548
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -23.466
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: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -248.532524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.532524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.532524 (E_RNA)
where:
Base-Base interactions energy: -162.362
where: short stacking energy: -72.280
Base-Backbone interact. energy: -0.358
local terms energy: -85.813203
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -268.372898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.372898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.372898 (E_RNA)
where:
Base-Base interactions energy: -181.488
where: short stacking energy: -73.618
Base-Backbone interact. energy: -0.640
local terms energy: -86.244699
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -20.615
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: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -209.367972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.367972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.367972 (E_RNA)
where:
Base-Base interactions energy: -131.130
where: short stacking energy: -55.353
Base-Backbone interact. energy: -1.557
local terms energy: -76.680814
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -16.607
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: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -198.526285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.526285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.526285 (E_RNA)
where:
Base-Base interactions energy: -131.678
where: short stacking energy: -55.743
Base-Backbone interact. energy: -0.118
local terms energy: -66.729852
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -12.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -106.703770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.703770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.703770 (E_RNA)
where:
Base-Base interactions energy: -54.465
where: short stacking energy: -34.582
Base-Backbone interact. energy: -0.351
local terms energy: -51.887187
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -3.182
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: 8, replica: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -97.811794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.811794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.811794 (E_RNA)
where:
Base-Base interactions energy: -38.399
where: short stacking energy: -38.105
Base-Backbone interact. energy: -0.020
local terms energy: -59.393103
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -95.815355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.815355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.815355 (E_RNA)
where:
Base-Base interactions energy: -34.440
where: short stacking energy: -34.440
Base-Backbone interact. energy: -0.023
local terms energy: -61.352277
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -93.218391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.218391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.218391 (E_RNA)
where:
Base-Base interactions energy: -42.404
where: short stacking energy: -31.333
Base-Backbone interact. energy: -0.220
local terms energy: -50.594797
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: 2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -282.844033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.844033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.844033 (E_RNA)
where:
Base-Base interactions energy: -194.091
where: short stacking energy: -76.656
Base-Backbone interact. energy: -0.582
local terms energy: -88.170659
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -20.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -289.587702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.587702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.587702 (E_RNA)
where:
Base-Base interactions energy: -194.832
where: short stacking energy: -74.072
Base-Backbone interact. energy: -0.093
local terms energy: -94.663476
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -27.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -238.703244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.703244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.703244 (E_RNA)
where:
Base-Base interactions energy: -149.818
where: short stacking energy: -62.166
Base-Backbone interact. energy: -0.188
local terms energy: -88.697239
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -18.458
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: 4, replica: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -279.101958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.101958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.101958 (E_RNA)
where:
Base-Base interactions energy: -185.212
where: short stacking energy: -79.981
Base-Backbone interact. energy: -0.008
local terms energy: -93.881447
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -21.165
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -24.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -233.026930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.026930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.026930 (E_RNA)
where:
Base-Base interactions energy: -146.613
where: short stacking energy: -67.868
Base-Backbone interact. energy: -0.598
local terms energy: -85.816266
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -25.696
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: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -167.109935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.109935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.109935 (E_RNA)
where:
Base-Base interactions energy: -96.058
where: short stacking energy: -56.175
Base-Backbone interact. energy: -0.059
local terms energy: -70.993511
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -12.495
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: 7, replica: 4
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -107.536891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.536891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.536891 (E_RNA)
where:
Base-Base interactions energy: -42.596
where: short stacking energy: -41.814
Base-Backbone interact. energy: -0.193
local terms energy: -64.747728
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -11.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -99.971301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.971301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.971301 (E_RNA)
where:
Base-Base interactions energy: -43.430
where: short stacking energy: -31.207
Base-Backbone interact. energy: 0.196
local terms energy: -56.737189
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -0.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -88.440894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.440894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.440894 (E_RNA)
where:
Base-Base interactions energy: -31.366
where: short stacking energy: -31.366
Base-Backbone interact. energy: -0.253
local terms energy: -56.821679
where:
bonds (distance) C4'-P energy: -6.847
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: -6.819
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: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -95.450231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.450231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.450231 (E_RNA)
where:
Base-Base interactions energy: -34.445
where: short stacking energy: -29.422
Base-Backbone interact. energy: -0.072
local terms energy: -60.933122
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -9.341
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: 1, replica: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -300.674826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.674826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.674826 (E_RNA)
where:
Base-Base interactions energy: -208.763
where: short stacking energy: -82.969
Base-Backbone interact. energy: -0.088
local terms energy: -91.823476
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -24.228
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: 8
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -278.036379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.036379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.036379 (E_RNA)
where:
Base-Base interactions energy: -186.760
where: short stacking energy: -71.082
Base-Backbone interact. energy: -0.698
local terms energy: -90.577924
where:
bonds (distance) C4'-P energy: -21.793
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -20.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -287.227655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.227655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.227655 (E_RNA)
where:
Base-Base interactions energy: -187.635
where: short stacking energy: -86.582
Base-Backbone interact. energy: -0.002
local terms energy: -99.590649
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -26.398
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: 4, replica: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -238.362501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.362501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.362501 (E_RNA)
where:
Base-Base interactions energy: -157.919
where: short stacking energy: -66.852
Base-Backbone interact. energy: -1.317
local terms energy: -79.126858
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -17.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -216.298150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.298150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.298150 (E_RNA)
where:
Base-Base interactions energy: -139.423
where: short stacking energy: -59.712
Base-Backbone interact. energy: -0.051
local terms energy: -76.824301
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -18.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -213.672636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.672636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.672636 (E_RNA)
where:
Base-Base interactions energy: -132.321
where: short stacking energy: -58.048
Base-Backbone interact. energy: -0.663
local terms energy: -80.688445
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -13.399
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: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -104.108608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.108608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.108608 (E_RNA)
where:
Base-Base interactions energy: -52.626
where: short stacking energy: -41.842
Base-Backbone interact. energy: -0.189
local terms energy: -51.293190
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -10.504
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -94.905459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.905459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.905459 (E_RNA)
where:
Base-Base interactions energy: -31.237
where: short stacking energy: -31.237
Base-Backbone interact. energy: -0.261
local terms energy: -63.407932
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -0.611
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: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -97.442615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.442615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.442615 (E_RNA)
where:
Base-Base interactions energy: -34.437
where: short stacking energy: -34.437
Base-Backbone interact. energy: -0.201
local terms energy: -62.805121
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -7.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -87.458286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.458286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.458286 (E_RNA)
where:
Base-Base interactions energy: -28.427
where: short stacking energy: -27.708
Base-Backbone interact. energy: 0.766
local terms energy: -59.797097
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -0.720
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: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -293.267620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.267620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.267620 (E_RNA)
where:
Base-Base interactions energy: -202.077
where: short stacking energy: -83.092
Base-Backbone interact. energy: -0.003
local terms energy: -91.187551
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -25.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -287.167245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.167245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.167245 (E_RNA)
where:
Base-Base interactions energy: -189.613
where: short stacking energy: -85.985
Base-Backbone interact. energy: -2.261
local terms energy: -95.292881
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -23.039
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -28.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -278.902658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.902658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.902658 (E_RNA)
where:
Base-Base interactions energy: -188.662
where: short stacking energy: -68.949
Base-Backbone interact. energy: -0.104
local terms energy: -90.136021
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -26.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -225.762259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.762259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.762259 (E_RNA)
where:
Base-Base interactions energy: -148.025
where: short stacking energy: -72.282
Base-Backbone interact. energy: -0.201
local terms energy: -77.535908
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -13.530
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: 5, replica: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -227.001187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.001187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.001187 (E_RNA)
where:
Base-Base interactions energy: -153.364
where: short stacking energy: -57.238
Base-Backbone interact. energy: -0.845
local terms energy: -72.792285
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -11.488
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: 6, replica: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -216.883816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.883816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.883816 (E_RNA)
where:
Base-Base interactions energy: -131.434
where: short stacking energy: -61.128
Base-Backbone interact. energy: -0.308
local terms energy: -85.141449
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -17.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -110.634310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.634310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.634310 (E_RNA)
where:
Base-Base interactions energy: -38.883
where: short stacking energy: -38.581
Base-Backbone interact. energy: -0.389
local terms energy: -71.361791
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -104.252195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.252195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.252195 (E_RNA)
where:
Base-Base interactions energy: -35.766
where: short stacking energy: -30.351
Base-Backbone interact. energy: -0.850
local terms energy: -67.636285
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -91.224634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.224634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.224634 (E_RNA)
where:
Base-Base interactions energy: -35.757
where: short stacking energy: -35.757
Base-Backbone interact. energy: 3.622
local terms energy: -59.088744
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -88.540285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.540285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.540285 (E_RNA)
where:
Base-Base interactions energy: -32.995
where: short stacking energy: -26.644
Base-Backbone interact. energy: -0.355
local terms energy: -55.189560
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -8.079
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -4.745
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: 10
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -286.727346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.727346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.727346 (E_RNA)
where:
Base-Base interactions energy: -192.035
where: short stacking energy: -87.256
Base-Backbone interact. energy: -2.120
local terms energy: -92.572042
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -29.615
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: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -286.479314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.479314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.479314 (E_RNA)
where:
Base-Base interactions energy: -188.259
where: short stacking energy: -80.512
Base-Backbone interact. energy: -0.073
local terms energy: -98.147843
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -27.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -272.076124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.076124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.076124 (E_RNA)
where:
Base-Base interactions energy: -187.802
where: short stacking energy: -74.946
Base-Backbone interact. energy: -0.073
local terms energy: -84.201283
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -23.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -249.942404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.942404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.942404 (E_RNA)
where:
Base-Base interactions energy: -170.582
where: short stacking energy: -78.141
Base-Backbone interact. energy: -0.167
local terms energy: -79.193784
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -20.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -220.479209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.479209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.479209 (E_RNA)
where:
Base-Base interactions energy: -139.990
where: short stacking energy: -62.721
Base-Backbone interact. energy: -0.022
local terms energy: -80.467781
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -221.894255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.894255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.894255 (E_RNA)
where:
Base-Base interactions energy: -151.254
where: short stacking energy: -64.004
Base-Backbone interact. energy: -0.022
local terms energy: -70.617641
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -13.642
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: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -108.900080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.900080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.900080 (E_RNA)
where:
Base-Base interactions energy: -45.884
where: short stacking energy: -39.186
Base-Backbone interact. energy: -0.099
local terms energy: -62.917114
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -10.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -104.609004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.609004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.609004 (E_RNA)
where:
Base-Base interactions energy: -38.820
where: short stacking energy: -36.240
Base-Backbone interact. energy: -0.289
local terms energy: -65.499990
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -8.223
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: 7
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -87.076511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.076511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.076511 (E_RNA)
where:
Base-Base interactions energy: -38.620
where: short stacking energy: -34.030
Base-Backbone interact. energy: -0.167
local terms energy: -48.289608
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -9.792
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -0.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -87.552942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.552942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.552942 (E_RNA)
where:
Base-Base interactions energy: -39.415
where: short stacking energy: -24.023
Base-Backbone interact. energy: 0.077
local terms energy: -48.214716
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -9.595
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: 1.292
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: 10
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -287.980051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.980051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.980051 (E_RNA)
where:
Base-Base interactions energy: -188.081
where: short stacking energy: -88.505
Base-Backbone interact. energy: -1.261
local terms energy: -98.637987
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -27.826
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: 2, replica: 5
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -292.663565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.663565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.663565 (E_RNA)
where:
Base-Base interactions energy: -197.008
where: short stacking energy: -80.388
Base-Backbone interact. energy: -0.004
local terms energy: -95.651310
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -16.826
tors. eta vs tors. theta energy: -26.024
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: 3, replica: 8
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -268.477599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.477599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.477599 (E_RNA)
where:
Base-Base interactions energy: -187.277
where: short stacking energy: -72.006
Base-Backbone interact. energy: -0.017
local terms energy: -81.183423
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -19.761
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: 9
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -217.239442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.239442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.239442 (E_RNA)
where:
Base-Base interactions energy: -132.519
where: short stacking energy: -53.896
Base-Backbone interact. energy: -0.067
local terms energy: -84.653175
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -234.467878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.467878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.467878 (E_RNA)
where:
Base-Base interactions energy: -159.157
where: short stacking energy: -61.990
Base-Backbone interact. energy: -0.045
local terms energy: -75.265616
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -14.703
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: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -223.648838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.648838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.648838 (E_RNA)
where:
Base-Base interactions energy: -149.295
where: short stacking energy: -62.385
Base-Backbone interact. energy: -0.194
local terms energy: -74.159955
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -17.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -110.053601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.053601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.053601 (E_RNA)
where:
Base-Base interactions energy: -45.373
where: short stacking energy: -34.955
Base-Backbone interact. energy: -0.257
local terms energy: -64.423783
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -93.265796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.265796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.265796 (E_RNA)
where:
Base-Base interactions energy: -32.079
where: short stacking energy: -23.511
Base-Backbone interact. energy: -0.833
local terms energy: -60.353618
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: 1.376
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: 4
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -93.706413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.706413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.706413 (E_RNA)
where:
Base-Base interactions energy: -35.920
where: short stacking energy: -35.920
Base-Backbone interact. energy: -0.417
local terms energy: -57.369414
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -0.193
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: 10, replica: 3
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -96.876548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.876548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.876548 (E_RNA)
where:
Base-Base interactions energy: -41.245
where: short stacking energy: -22.130
Base-Backbone interact. energy: -0.702
local terms energy: -54.929948
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -0.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -301.902802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.902802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.902802 (E_RNA)
where:
Base-Base interactions energy: -211.709
where: short stacking energy: -84.018
Base-Backbone interact. energy: -0.009
local terms energy: -90.184600
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -285.259689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.259689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.259689 (E_RNA)
where:
Base-Base interactions energy: -189.540
where: short stacking energy: -86.795
Base-Backbone interact. energy: -0.003
local terms energy: -95.716876
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -28.047
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: 8
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -274.611117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.611117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.611117 (E_RNA)
where:
Base-Base interactions energy: -184.697
where: short stacking energy: -69.420
Base-Backbone interact. energy: 1.718
local terms energy: -91.632100
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -22.216
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: 9
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -217.081390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.081390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.081390 (E_RNA)
where:
Base-Base interactions energy: -137.577
where: short stacking energy: -58.226
Base-Backbone interact. energy: -0.666
local terms energy: -78.837603
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -16.753
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: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -221.556435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.556435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.556435 (E_RNA)
where:
Base-Base interactions energy: -151.796
where: short stacking energy: -68.683
Base-Backbone interact. energy: -0.058
local terms energy: -69.702615
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -19.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -214.632648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.632648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.632648 (E_RNA)
where:
Base-Base interactions energy: -143.424
where: short stacking energy: -66.838
Base-Backbone interact. energy: 0.502
local terms energy: -71.709958
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -15.865
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: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -112.062413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.062413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.062413 (E_RNA)
where:
Base-Base interactions energy: -52.868
where: short stacking energy: -39.755
Base-Backbone interact. energy: 2.683
local terms energy: -61.877997
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -8.865
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: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -101.247442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.247442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.247442 (E_RNA)
where:
Base-Base interactions energy: -41.280
where: short stacking energy: -36.791
Base-Backbone interact. energy: -0.412
local terms energy: -59.555309
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -17.835
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -6.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -84.931969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.931969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.931969 (E_RNA)
where:
Base-Base interactions energy: -32.444
where: short stacking energy: -13.780
Base-Backbone interact. energy: -0.214
local terms energy: -52.273617
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: 5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -89.712522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.712522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.712522 (E_RNA)
where:
Base-Base interactions energy: -37.027
where: short stacking energy: -31.529
Base-Backbone interact. energy: -0.201
local terms energy: -52.484944
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -0.538
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: 1, replica: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -294.913576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.913576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.913576 (E_RNA)
where:
Base-Base interactions energy: -200.486
where: short stacking energy: -81.577
Base-Backbone interact. energy: -0.013
local terms energy: -94.415039
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -24.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -283.777214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.777214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.777214 (E_RNA)
where:
Base-Base interactions energy: -193.729
where: short stacking energy: -65.944
Base-Backbone interact. energy: -0.586
local terms energy: -89.462066
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -23.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -277.527753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.527753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.527753 (E_RNA)
where:
Base-Base interactions energy: -179.519
where: short stacking energy: -84.355
Base-Backbone interact. energy: -0.013
local terms energy: -97.995880
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -16.692
tors. eta vs tors. theta energy: -28.876
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: 37
Temperature: 1.050000
Total energy: -228.616106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.616106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.616106 (E_RNA)
where:
Base-Base interactions energy: -147.953
where: short stacking energy: -66.031
Base-Backbone interact. energy: -0.156
local terms energy: -80.507310
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -4.407
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: 5, replica: 9
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -230.272051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.272051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.272051 (E_RNA)
where:
Base-Base interactions energy: -148.028
where: short stacking energy: -66.528
Base-Backbone interact. energy: -0.761
local terms energy: -81.483178
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -23.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -234.456046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.456046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.456046 (E_RNA)
where:
Base-Base interactions energy: -153.106
where: short stacking energy: -66.519
Base-Backbone interact. energy: -0.721
local terms energy: -80.628972
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -121.674842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.674842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.674842 (E_RNA)
where:
Base-Base interactions energy: -59.099
where: short stacking energy: -32.282
Base-Backbone interact. energy: -0.556
local terms energy: -62.019855
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: 0.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -104.534423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.534423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.534423 (E_RNA)
where:
Base-Base interactions energy: -45.769
where: short stacking energy: -30.006
Base-Backbone interact. energy: -0.115
local terms energy: -58.650498
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -1.653
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: 9, replica: 3
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -121.180836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.180836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.180836 (E_RNA)
where:
Base-Base interactions energy: -63.924
where: short stacking energy: -32.130
Base-Backbone interact. energy: -0.991
local terms energy: -56.266536
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -7.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -93.386565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.386565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.386565 (E_RNA)
where:
Base-Base interactions energy: -43.848
where: short stacking energy: -25.767
Base-Backbone interact. energy: 2.294
local terms energy: -51.832421
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -4.236
tors. eta vs tors. theta energy: -3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -291.599907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.599907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.599907 (E_RNA)
where:
Base-Base interactions energy: -201.368
where: short stacking energy: -76.743
Base-Backbone interact. energy: -0.319
local terms energy: -89.912962
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -22.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -291.834320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.834320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.834320 (E_RNA)
where:
Base-Base interactions energy: -200.971
where: short stacking energy: -81.568
Base-Backbone interact. energy: -0.694
local terms energy: -90.169665
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -25.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -230.955899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.955899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.955899 (E_RNA)
where:
Base-Base interactions energy: -147.821
where: short stacking energy: -66.398
Base-Backbone interact. energy: -0.016
local terms energy: -83.119051
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -279.764865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.764865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.764865 (E_RNA)
where:
Base-Base interactions energy: -185.051
where: short stacking energy: -84.754
Base-Backbone interact. energy: -0.132
local terms energy: -94.582230
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -25.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -220.819449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.819449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.819449 (E_RNA)
where:
Base-Base interactions energy: -143.211
where: short stacking energy: -62.121
Base-Backbone interact. energy: -1.617
local terms energy: -75.991398
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -18.376
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: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -207.771573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.771573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.771573 (E_RNA)
where:
Base-Base interactions energy: -136.696
where: short stacking energy: -68.251
Base-Backbone interact. energy: -1.316
local terms energy: -69.759619
where:
bonds (distance) C4'-P energy: -8.877
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -20.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -136.676264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.676264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.676264 (E_RNA)
where:
Base-Base interactions energy: -69.874
where: short stacking energy: -44.198
Base-Backbone interact. energy: -0.346
local terms energy: -66.456636
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -102.114434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.114434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.114434 (E_RNA)
where:
Base-Base interactions energy: -47.580
where: short stacking energy: -29.248
Base-Backbone interact. energy: -1.592
local terms energy: -52.941706
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: 1.786
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: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -103.312404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.312404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.312404 (E_RNA)
where:
Base-Base interactions energy: -43.939
where: short stacking energy: -22.734
Base-Backbone interact. energy: -1.020
local terms energy: -58.353167
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -3.564
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: 3
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -103.784610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.784610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.784610 (E_RNA)
where:
Base-Base interactions energy: -53.976
where: short stacking energy: -33.262
Base-Backbone interact. energy: -0.175
local terms energy: -49.633677
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -294.529152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.529152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.529152 (E_RNA)
where:
Base-Base interactions energy: -203.597
where: short stacking energy: -80.493
Base-Backbone interact. energy: 0.900
local terms energy: -91.831988
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -26.063
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: 10
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -294.242861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.242861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.242861 (E_RNA)
where:
Base-Base interactions energy: -203.952
where: short stacking energy: -89.251
Base-Backbone interact. energy: -0.073
local terms energy: -90.217519
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -27.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -220.086053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.086053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.086053 (E_RNA)
where:
Base-Base interactions energy: -141.923
where: short stacking energy: -64.680
Base-Backbone interact. energy: -0.113
local terms energy: -78.049158
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -15.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -270.540532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.540532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.540532 (E_RNA)
where:
Base-Base interactions energy: -171.266
where: short stacking energy: -77.682
Base-Backbone interact. energy: -0.100
local terms energy: -99.175035
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -26.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -222.982942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.982942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.982942 (E_RNA)
where:
Base-Base interactions energy: -141.468
where: short stacking energy: -69.688
Base-Backbone interact. energy: -0.006
local terms energy: -81.509722
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -18.221
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: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -238.980932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.980932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.980932 (E_RNA)
where:
Base-Base interactions energy: -158.087
where: short stacking energy: -70.657
Base-Backbone interact. energy: -0.326
local terms energy: -80.567191
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -9.807
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -138.889441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.889441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.889441 (E_RNA)
where:
Base-Base interactions energy: -74.317
where: short stacking energy: -37.645
Base-Backbone interact. energy: -0.031
local terms energy: -64.541198
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -2.246
tors. eta vs tors. theta energy: -6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -92.944143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.944143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.944143 (E_RNA)
where:
Base-Base interactions energy: -37.907
where: short stacking energy: -35.294
Base-Backbone interact. energy: -0.342
local terms energy: -54.695172
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -105.025392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.025392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.025392 (E_RNA)
where:
Base-Base interactions energy: -42.723
where: short stacking energy: -33.073
Base-Backbone interact. energy: -0.024
local terms energy: -62.277805
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -2.683
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: 3
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -90.372879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.372879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.372879 (E_RNA)
where:
Base-Base interactions energy: -29.441
where: short stacking energy: -28.542
Base-Backbone interact. energy: -0.140
local terms energy: -60.792107
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: 0.290
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: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -292.236428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.236428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.236428 (E_RNA)
where:
Base-Base interactions energy: -196.067
where: short stacking energy: -90.982
Base-Backbone interact. energy: -0.039
local terms energy: -96.130214
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -27.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -285.901536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.901536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.901536 (E_RNA)
where:
Base-Base interactions energy: -195.587
where: short stacking energy: -76.297
Base-Backbone interact. energy: 0.965
local terms energy: -91.279392
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -17.651
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: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -286.640369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.640369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.640369 (E_RNA)
where:
Base-Base interactions energy: -193.826
where: short stacking energy: -76.835
Base-Backbone interact. energy: -0.029
local terms energy: -92.784784
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -23.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -215.733179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.733179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.733179 (E_RNA)
where:
Base-Base interactions energy: -139.722
where: short stacking energy: -55.842
Base-Backbone interact. energy: -0.597
local terms energy: -75.413745
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -6.503
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: 5, replica: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -238.038569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.038569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.038569 (E_RNA)
where:
Base-Base interactions energy: -155.475
where: short stacking energy: -67.007
Base-Backbone interact. energy: -0.221
local terms energy: -82.341990
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -215.917238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.917238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.917238 (E_RNA)
where:
Base-Base interactions energy: -141.513
where: short stacking energy: -70.217
Base-Backbone interact. energy: -0.011
local terms energy: -74.392906
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -16.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -106.015802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.015802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.015802 (E_RNA)
where:
Base-Base interactions energy: -44.858
where: short stacking energy: -38.432
Base-Backbone interact. energy: -0.551
local terms energy: -60.606753
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -18.187
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -113.495095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.495095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.495095 (E_RNA)
where:
Base-Base interactions energy: -64.704
where: short stacking energy: -37.546
Base-Backbone interact. energy: -0.224
local terms energy: -48.567924
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -90.176185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.176185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.176185 (E_RNA)
where:
Base-Base interactions energy: -35.163
where: short stacking energy: -33.541
Base-Backbone interact. energy: -0.543
local terms energy: -54.469572
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -4.090
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: 3
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -83.271121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.271121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.271121 (E_RNA)
where:
Base-Base interactions energy: -27.991
where: short stacking energy: -27.105
Base-Backbone interact. energy: -0.062
local terms energy: -55.218477
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -3.660
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -291.810414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.810414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.810414 (E_RNA)
where:
Base-Base interactions energy: -206.061
where: short stacking energy: -89.715
Base-Backbone interact. energy: -0.104
local terms energy: -85.645675
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -27.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -290.515182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.515182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.515182 (E_RNA)
where:
Base-Base interactions energy: -197.576
where: short stacking energy: -83.920
Base-Backbone interact. energy: -0.100
local terms energy: -92.838661
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -20.607
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: -22.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -297.810945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.810945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.810945 (E_RNA)
where:
Base-Base interactions energy: -204.489
where: short stacking energy: -84.773
Base-Backbone interact. energy: -0.111
local terms energy: -93.210085
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -26.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -244.323078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.323078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.323078 (E_RNA)
where:
Base-Base interactions energy: -155.828
where: short stacking energy: -78.208
Base-Backbone interact. energy: -0.388
local terms energy: -88.106504
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -21.062
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: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -225.037419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.037419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.037419 (E_RNA)
where:
Base-Base interactions energy: -144.560
where: short stacking energy: -65.650
Base-Backbone interact. energy: -0.074
local terms energy: -80.403564
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -23.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -217.886102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.886102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.886102 (E_RNA)
where:
Base-Base interactions energy: -149.246
where: short stacking energy: -65.785
Base-Backbone interact. energy: -0.110
local terms energy: -68.529578
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -105.349993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.349993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.349993 (E_RNA)
where:
Base-Base interactions energy: -45.670
where: short stacking energy: -41.182
Base-Backbone interact. energy: -0.206
local terms energy: -59.473996
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -10.260
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: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -105.128075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.128075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.128075 (E_RNA)
where:
Base-Base interactions energy: -46.230
where: short stacking energy: -37.580
Base-Backbone interact. energy: -0.346
local terms energy: -58.551326
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -101.178362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.178362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.178362 (E_RNA)
where:
Base-Base interactions energy: -38.725
where: short stacking energy: -32.878
Base-Backbone interact. energy: -1.382
local terms energy: -61.071508
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -5.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -98.359421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.359421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.359421 (E_RNA)
where:
Base-Base interactions energy: -36.462
where: short stacking energy: -25.023
Base-Backbone interact. energy: -0.008
local terms energy: -61.889771
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -6.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -287.809560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.809560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.809560 (E_RNA)
where:
Base-Base interactions energy: -198.421
where: short stacking energy: -76.255
Base-Backbone interact. energy: -0.032
local terms energy: -89.355749
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -22.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -271.212704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.212704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.212704 (E_RNA)
where:
Base-Base interactions energy: -180.985
where: short stacking energy: -80.873
Base-Backbone interact. energy: -0.064
local terms energy: -90.163673
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -15.891
tors. eta vs tors. theta energy: -23.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -290.940079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.940079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.940079 (E_RNA)
where:
Base-Base interactions energy: -197.480
where: short stacking energy: -78.930
Base-Backbone interact. energy: -0.084
local terms energy: -93.375747
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -27.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -236.120343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.120343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.120343 (E_RNA)
where:
Base-Base interactions energy: -147.541
where: short stacking energy: -78.238
Base-Backbone interact. energy: -0.007
local terms energy: -88.571783
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -23.404
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -224.285429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.285429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.285429 (E_RNA)
where:
Base-Base interactions energy: -144.576
where: short stacking energy: -58.836
Base-Backbone interact. energy: -0.001
local terms energy: -79.707884
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -17.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -219.658185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.658185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.658185 (E_RNA)
where:
Base-Base interactions energy: -144.912
where: short stacking energy: -67.492
Base-Backbone interact. energy: 1.871
local terms energy: -76.617410
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -18.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -112.732197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.732197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.732197 (E_RNA)
where:
Base-Base interactions energy: -44.428
where: short stacking energy: -31.976
Base-Backbone interact. energy: -0.168
local terms energy: -68.136451
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -9.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -93.556428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.556428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.556428 (E_RNA)
where:
Base-Base interactions energy: -38.476
where: short stacking energy: -21.634
Base-Backbone interact. energy: -0.144
local terms energy: -54.936615
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -84.678517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.678517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.678517 (E_RNA)
where:
Base-Base interactions energy: -27.209
where: short stacking energy: -25.708
Base-Backbone interact. energy: -0.410
local terms energy: -57.059572
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: 1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -87.444121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.444121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.444121 (E_RNA)
where:
Base-Base interactions energy: -37.241
where: short stacking energy: -25.026
Base-Backbone interact. energy: 0.643
local terms energy: -50.845753
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -9.274
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: 3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -291.161432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.161432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.161432 (E_RNA)
where:
Base-Base interactions energy: -198.270
where: short stacking energy: -78.094
Base-Backbone interact. energy: -0.056
local terms energy: -92.835638
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -25.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -301.976070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.976070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.976070 (E_RNA)
where:
Base-Base interactions energy: -214.413
where: short stacking energy: -83.766
Base-Backbone interact. energy: -0.166
local terms energy: -87.396291
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -9.234
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: 3, replica: 10
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -275.991216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.991216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.991216 (E_RNA)
where:
Base-Base interactions energy: -180.107
where: short stacking energy: -90.268
Base-Backbone interact. energy: 1.710
local terms energy: -97.594801
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -20.424
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -30.103
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: 43
Temperature: 1.050000
Total energy: -224.694825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.694825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.694825 (E_RNA)
where:
Base-Base interactions energy: -144.235
where: short stacking energy: -62.305
Base-Backbone interact. energy: -0.207
local terms energy: -80.252748
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -218.431994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.431994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.431994 (E_RNA)
where:
Base-Base interactions energy: -142.068
where: short stacking energy: -59.388
Base-Backbone interact. energy: 0.259
local terms energy: -76.623542
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -13.230
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: 6, replica: 1
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -230.593494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.593494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.593494 (E_RNA)
where:
Base-Base interactions energy: -150.662
where: short stacking energy: -62.768
Base-Backbone interact. energy: -0.273
local terms energy: -79.658125
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -16.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -103.264791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.264791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.264791 (E_RNA)
where:
Base-Base interactions energy: -43.589
where: short stacking energy: -28.554
Base-Backbone interact. energy: -0.578
local terms energy: -59.097721
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -9.512
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: 8, replica: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -97.999842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.999842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.999842 (E_RNA)
where:
Base-Base interactions energy: -32.811
where: short stacking energy: -32.811
Base-Backbone interact. energy: -0.169
local terms energy: -65.020344
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -8.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -95.706588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.706588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.706588 (E_RNA)
where:
Base-Base interactions energy: -26.525
where: short stacking energy: -26.525
Base-Backbone interact. energy: -0.068
local terms energy: -69.113403
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -80.972714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.972714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.972714 (E_RNA)
where:
Base-Base interactions energy: -20.690
where: short stacking energy: -14.827
Base-Backbone interact. energy: -0.656
local terms energy: -59.627091
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -1.656
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: 1, replica: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -301.957067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.957067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.957067 (E_RNA)
where:
Base-Base interactions energy: -210.092
where: short stacking energy: -90.606
Base-Backbone interact. energy: -0.604
local terms energy: -91.261333
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -24.239
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: 8
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -285.605146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.605146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.605146 (E_RNA)
where:
Base-Base interactions energy: -189.344
where: short stacking energy: -74.701
Base-Backbone interact. energy: -0.072
local terms energy: -96.189446
where:
bonds (distance) C4'-P energy: -19.368
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -24.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -233.153990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.153990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.153990 (E_RNA)
where:
Base-Base interactions energy: -152.286
where: short stacking energy: -72.671
Base-Backbone interact. energy: -0.762
local terms energy: -80.105397
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -256.434736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.434736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.434736 (E_RNA)
where:
Base-Base interactions energy: -172.034
where: short stacking energy: -76.588
Base-Backbone interact. energy: -0.116
local terms energy: -84.284664
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -24.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -222.578153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.578153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.578153 (E_RNA)
where:
Base-Base interactions energy: -145.047
where: short stacking energy: -67.434
Base-Backbone interact. energy: -0.105
local terms energy: -77.426488
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -222.767455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.767455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.767455 (E_RNA)
where:
Base-Base interactions energy: -140.266
where: short stacking energy: -64.617
Base-Backbone interact. energy: -0.388
local terms energy: -82.113876
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -104.424168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.424168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.424168 (E_RNA)
where:
Base-Base interactions energy: -35.189
where: short stacking energy: -35.124
Base-Backbone interact. energy: 0.165
local terms energy: -69.400056
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -21.137
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -98.953574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.953574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.953574 (E_RNA)
where:
Base-Base interactions energy: -43.372
where: short stacking energy: -36.189
Base-Backbone interact. energy: -0.473
local terms energy: -55.108877
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -0.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -100.059278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.059278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.059278 (E_RNA)
where:
Base-Base interactions energy: -46.462
where: short stacking energy: -31.711
Base-Backbone interact. energy: -0.471
local terms energy: -53.126972
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -4.813
flat angles P-C4'-P energy: -8.528
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: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -91.031253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.031253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.031253 (E_RNA)
where:
Base-Base interactions energy: -28.405
where: short stacking energy: -23.655
Base-Backbone interact. energy: -0.153
local terms energy: -62.474031
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -0.602
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: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -300.885208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.885208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.885208 (E_RNA)
where:
Base-Base interactions energy: -211.099
where: short stacking energy: -90.131
Base-Backbone interact. energy: -0.089
local terms energy: -89.697002
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -24.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -283.269097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.269097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.269097 (E_RNA)
where:
Base-Base interactions energy: -200.813
where: short stacking energy: -76.278
Base-Backbone interact. energy: -0.107
local terms energy: -82.348619
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -24.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -240.935250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.935250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.935250 (E_RNA)
where:
Base-Base interactions energy: -152.838
where: short stacking energy: -69.694
Base-Backbone interact. energy: -0.314
local terms energy: -87.783202
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -276.672653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.672653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.672653 (E_RNA)
where:
Base-Base interactions energy: -192.502
where: short stacking energy: -84.094
Base-Backbone interact. energy: -0.166
local terms energy: -84.005114
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -15.115
tors. eta vs tors. theta energy: -22.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -223.103678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.103678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.103678 (E_RNA)
where:
Base-Base interactions energy: -139.346
where: short stacking energy: -61.108
Base-Backbone interact. energy: -0.100
local terms energy: -83.657555
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -21.061
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -105.538063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.538063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.538063 (E_RNA)
where:
Base-Base interactions energy: -43.382
where: short stacking energy: -36.775
Base-Backbone interact. energy: -0.050
local terms energy: -62.105985
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -223.033304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.033304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.033304 (E_RNA)
where:
Base-Base interactions energy: -151.055
where: short stacking energy: -65.158
Base-Backbone interact. energy: -0.008
local terms energy: -71.969846
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -7.445
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: 45
Temperature: 1.250000
Total energy: -101.026453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.026453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.026453 (E_RNA)
where:
Base-Base interactions energy: -47.588
where: short stacking energy: -28.473
Base-Backbone interact. energy: 1.630
local terms energy: -55.067682
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -99.721660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.721660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.721660 (E_RNA)
where:
Base-Base interactions energy: -45.931
where: short stacking energy: -28.276
Base-Backbone interact. energy: 1.255
local terms energy: -55.045926
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -3.398
tors. eta vs tors. theta energy: -3.029
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: 10, replica: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -83.468797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.468797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.468797 (E_RNA)
where:
Base-Base interactions energy: -34.158
where: short stacking energy: -23.411
Base-Backbone interact. energy: -0.972
local terms energy: -48.338773
where:
bonds (distance) C4'-P energy: -6.649
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -0.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -285.799104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.799104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.799104 (E_RNA)
where:
Base-Base interactions energy: -200.072
where: short stacking energy: -80.784
Base-Backbone interact. energy: -0.267
local terms energy: -85.459268
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -23.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -285.038598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.038598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.038598 (E_RNA)
where:
Base-Base interactions energy: -196.866
where: short stacking energy: -81.634
Base-Backbone interact. energy: -0.201
local terms energy: -87.971425
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -22.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -251.334028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.334028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.334028 (E_RNA)
where:
Base-Base interactions energy: -162.252
where: short stacking energy: -78.823
Base-Backbone interact. energy: 0.479
local terms energy: -89.560998
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -22.282
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: 46
Temperature: 1.050000
Total energy: -232.089694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.089694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.089694 (E_RNA)
where:
Base-Base interactions energy: -154.737
where: short stacking energy: -75.294
Base-Backbone interact. energy: -0.000
local terms energy: -77.352255
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -19.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -226.717366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.717366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.717366 (E_RNA)
where:
Base-Base interactions energy: -155.366
where: short stacking energy: -67.301
Base-Backbone interact. energy: -0.204
local terms energy: -71.147675
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -20.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -127.206102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.206102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.206102 (E_RNA)
where:
Base-Base interactions energy: -56.181
where: short stacking energy: -56.181
Base-Backbone interact. energy: -0.187
local terms energy: -70.838157
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -14.747
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: 46
Temperature: 1.200000
Total energy: -210.920668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.920668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.920668 (E_RNA)
where:
Base-Base interactions energy: -143.965
where: short stacking energy: -64.148
Base-Backbone interact. energy: -0.303
local terms energy: -66.652308
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -1.052
tors. eta vs tors. theta energy: -15.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -101.129004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.129004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.129004 (E_RNA)
where:
Base-Base interactions energy: -43.449
where: short stacking energy: -42.346
Base-Backbone interact. energy: -0.358
local terms energy: -57.322498
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -95.748798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.748798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.748798 (E_RNA)
where:
Base-Base interactions energy: -33.095
where: short stacking energy: -33.095
Base-Backbone interact. energy: -0.787
local terms energy: -61.866519
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -86.630581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.630581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.630581 (E_RNA)
where:
Base-Base interactions energy: -32.223
where: short stacking energy: -31.557
Base-Backbone interact. energy: -0.227
local terms energy: -54.180222
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -0.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -300.516092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.516092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.516092 (E_RNA)
where:
Base-Base interactions energy: -209.993
where: short stacking energy: -81.706
Base-Backbone interact. energy: -0.109
local terms energy: -90.413602
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -23.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -286.639085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.639085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.639085 (E_RNA)
where:
Base-Base interactions energy: -193.424
where: short stacking energy: -83.722
Base-Backbone interact. energy: -0.018
local terms energy: -93.196590
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -25.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -264.187882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.187882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.187882 (E_RNA)
where:
Base-Base interactions energy: -173.825
where: short stacking energy: -73.527
Base-Backbone interact. energy: -0.258
local terms energy: -90.105019
where:
bonds (distance) C4'-P energy: -22.165
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -21.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -231.059379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.059379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.059379 (E_RNA)
where:
Base-Base interactions energy: -148.921
where: short stacking energy: -72.553
Base-Backbone interact. energy: -0.164
local terms energy: -81.974698
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -21.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -216.083621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.083621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.083621 (E_RNA)
where:
Base-Base interactions energy: -134.782
where: short stacking energy: -58.082
Base-Backbone interact. energy: -0.543
local terms energy: -80.758633
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -197.486036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.486036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.486036 (E_RNA)
where:
Base-Base interactions energy: -127.098
where: short stacking energy: -58.170
Base-Backbone interact. energy: -0.296
local terms energy: -70.091543
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -13.853
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: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -110.418010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.418010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.418010 (E_RNA)
where:
Base-Base interactions energy: -55.059
where: short stacking energy: -45.109
Base-Backbone interact. energy: -0.128
local terms energy: -55.231078
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -3.340
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -107.765738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.765738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.765738 (E_RNA)
where:
Base-Base interactions energy: -44.499
where: short stacking energy: -42.712
Base-Backbone interact. energy: 0.004
local terms energy: -63.270562
where:
bonds (distance) C4'-P energy: -7.670
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -6.819
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: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -89.799103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.799103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.799103 (E_RNA)
where:
Base-Base interactions energy: -36.092
where: short stacking energy: -32.086
Base-Backbone interact. energy: -0.962
local terms energy: -52.745431
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -80.665204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.665204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.665204 (E_RNA)
where:
Base-Base interactions energy: -24.248
where: short stacking energy: -23.362
Base-Backbone interact. energy: -0.059
local terms energy: -56.358417
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -3.157
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: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -291.778347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.778347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.778347 (E_RNA)
where:
Base-Base interactions energy: -193.878
where: short stacking energy: -74.300
Base-Backbone interact. energy: -0.208
local terms energy: -97.692005
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -21.923
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -23.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -280.094442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.094442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.094442 (E_RNA)
where:
Base-Base interactions energy: -188.272
where: short stacking energy: -85.674
Base-Backbone interact. energy: -0.002
local terms energy: -91.820545
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -26.154
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: 3, replica: 10
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -283.793656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.793656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.793656 (E_RNA)
where:
Base-Base interactions energy: -198.148
where: short stacking energy: -73.544
Base-Backbone interact. energy: -0.063
local terms energy: -85.582467
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -24.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -235.501279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.501279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.501279 (E_RNA)
where:
Base-Base interactions energy: -142.856
where: short stacking energy: -64.752
Base-Backbone interact. energy: -0.115
local terms energy: -92.530366
where:
bonds (distance) C4'-P energy: -19.678
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -22.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -209.270371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.270371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.270371 (E_RNA)
where:
Base-Base interactions energy: -136.247
where: short stacking energy: -65.127
Base-Backbone interact. energy: -0.470
local terms energy: -72.553902
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -227.593617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.593617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.593617 (E_RNA)
where:
Base-Base interactions energy: -143.436
where: short stacking energy: -62.863
Base-Backbone interact. energy: -0.188
local terms energy: -83.969100
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -126.129738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.129738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.129738 (E_RNA)
where:
Base-Base interactions energy: -59.179
where: short stacking energy: -46.523
Base-Backbone interact. energy: -0.139
local terms energy: -66.812028
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -10.448
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: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -120.681503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.681503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.681503 (E_RNA)
where:
Base-Base interactions energy: -50.614
where: short stacking energy: -50.614
Base-Backbone interact. energy: -0.075
local terms energy: -69.992813
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -9.825
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: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -95.673305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.673305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.673305 (E_RNA)
where:
Base-Base interactions energy: -25.416
where: short stacking energy: -20.530
Base-Backbone interact. energy: -0.234
local terms energy: -70.023096
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -7.238
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: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -86.147023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.147023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.147023 (E_RNA)
where:
Base-Base interactions energy: -32.416
where: short stacking energy: -24.353
Base-Backbone interact. energy: -0.043
local terms energy: -53.687786
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: 7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -288.979722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.979722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.979722 (E_RNA)
where:
Base-Base interactions energy: -195.462
where: short stacking energy: -75.659
Base-Backbone interact. energy: -0.058
local terms energy: -93.459537
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -22.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -287.348221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.348221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.348221 (E_RNA)
where:
Base-Base interactions energy: -193.943
where: short stacking energy: -80.381
Base-Backbone interact. energy: -0.246
local terms energy: -93.159046
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -17.571
tors. eta vs tors. theta energy: -24.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -271.263277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.263277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.263277 (E_RNA)
where:
Base-Base interactions energy: -183.777
where: short stacking energy: -83.774
Base-Backbone interact. energy: -1.193
local terms energy: -86.293469
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -27.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -230.355896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.355896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.355896 (E_RNA)
where:
Base-Base interactions energy: -148.083
where: short stacking energy: -73.134
Base-Backbone interact. energy: -0.148
local terms energy: -82.125018
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -21.155
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: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -228.537580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.537580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.537580 (E_RNA)
where:
Base-Base interactions energy: -138.092
where: short stacking energy: -63.225
Base-Backbone interact. energy: -0.080
local terms energy: -90.364652
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -19.916
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: 9
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -214.869579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.869579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.869579 (E_RNA)
where:
Base-Base interactions energy: -132.887
where: short stacking energy: -57.116
Base-Backbone interact. energy: -0.080
local terms energy: -81.902665
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -18.798
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: 7, replica: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -109.593095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.593095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.593095 (E_RNA)
where:
Base-Base interactions energy: -49.276
where: short stacking energy: -27.166
Base-Backbone interact. energy: -0.154
local terms energy: -60.163892
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -6.664
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: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -103.946433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.946433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.946433 (E_RNA)
where:
Base-Base interactions energy: -39.388
where: short stacking energy: -36.566
Base-Backbone interact. energy: -0.189
local terms energy: -64.369631
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -5.496
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: 9, replica: 3
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -90.056749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.056749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.056749 (E_RNA)
where:
Base-Base interactions energy: -29.523
where: short stacking energy: -29.523
Base-Backbone interact. energy: -0.830
local terms energy: -59.703724
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -97.529707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.529707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.529707 (E_RNA)
where:
Base-Base interactions energy: -42.932
where: short stacking energy: -30.802
Base-Backbone interact. energy: -0.352
local terms energy: -54.245851
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -301.229438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.229438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.229438 (E_RNA)
where:
Base-Base interactions energy: -201.983
where: short stacking energy: -91.758
Base-Backbone interact. energy: 0.014
local terms energy: -99.259993
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -15.068
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: 2, replica: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -285.924785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.924785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.924785 (E_RNA)
where:
Base-Base interactions energy: -190.275
where: short stacking energy: -75.903
Base-Backbone interact. energy: -0.196
local terms energy: -95.453171
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -21.531
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -22.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -277.257388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.257388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.257388 (E_RNA)
where:
Base-Base interactions energy: -183.909
where: short stacking energy: -81.976
Base-Backbone interact. energy: -0.081
local terms energy: -93.266738
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -21.141
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -22.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -231.665729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.665729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.665729 (E_RNA)
where:
Base-Base interactions energy: -145.865
where: short stacking energy: -62.274
Base-Backbone interact. energy: -0.285
local terms energy: -85.516279
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -13.172
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: 5, replica: 9
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -228.084187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.084187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.084187 (E_RNA)
where:
Base-Base interactions energy: -142.160
where: short stacking energy: -64.997
Base-Backbone interact. energy: -0.116
local terms energy: -85.807857
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -19.508
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: 6, replica: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -227.299185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.299185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.299185 (E_RNA)
where:
Base-Base interactions energy: -155.444
where: short stacking energy: -72.664
Base-Backbone interact. energy: 0.192
local terms energy: -72.046892
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -17.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -121.656374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.656374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.656374 (E_RNA)
where:
Base-Base interactions energy: -60.479
where: short stacking energy: -35.144
Base-Backbone interact. energy: 1.773
local terms energy: -62.949628
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -102.937661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.937661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.937661 (E_RNA)
where:
Base-Base interactions energy: -37.963
where: short stacking energy: -37.963
Base-Backbone interact. energy: -0.073
local terms energy: -64.901268
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -2.562
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: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -88.626941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.626941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.626941 (E_RNA)
where:
Base-Base interactions energy: -34.780
where: short stacking energy: -25.799
Base-Backbone interact. energy: 0.615
local terms energy: -54.462226
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -8.614
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -2.459
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: 3
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -123.484780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.484780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.484780 (E_RNA)
where:
Base-Base interactions energy: -65.961
where: short stacking energy: -36.667
Base-Backbone interact. energy: -0.130
local terms energy: -57.393873
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -11.872
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: 1, replica: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -292.603919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.603919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.603919 (E_RNA)
where:
Base-Base interactions energy: -199.253
where: short stacking energy: -85.215
Base-Backbone interact. energy: -0.081
local terms energy: -93.270835
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -16.764
tors. eta vs tors. theta energy: -26.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -284.209535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.209535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.209535 (E_RNA)
where:
Base-Base interactions energy: -197.991
where: short stacking energy: -75.492
Base-Backbone interact. energy: -0.157
local terms energy: -86.061342
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -24.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -280.687201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.687201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.687201 (E_RNA)
where:
Base-Base interactions energy: -182.513
where: short stacking energy: -83.950
Base-Backbone interact. energy: -0.144
local terms energy: -98.030066
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -23.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -232.608890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.608890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.608890 (E_RNA)
where:
Base-Base interactions energy: -150.605
where: short stacking energy: -63.315
Base-Backbone interact. energy: 0.001
local terms energy: -82.005460
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -15.383
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: 9
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -217.150513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.150513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.150513 (E_RNA)
where:
Base-Base interactions energy: -142.414
where: short stacking energy: -66.207
Base-Backbone interact. energy: 2.097
local terms energy: -76.833194
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -12.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -217.248618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.248618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.248618 (E_RNA)
where:
Base-Base interactions energy: -136.051
where: short stacking energy: -58.642
Base-Backbone interact. energy: -0.222
local terms energy: -80.974971
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -13.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -147.847103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.847103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.847103 (E_RNA)
where:
Base-Base interactions energy: -73.886
where: short stacking energy: -43.773
Base-Backbone interact. energy: -0.076
local terms energy: -73.884757
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -105.940580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.940580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.940580 (E_RNA)
where:
Base-Base interactions energy: -48.668
where: short stacking energy: -27.292
Base-Backbone interact. energy: -0.415
local terms energy: -56.858010
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: 0.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -99.006007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.006007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.006007 (E_RNA)
where:
Base-Base interactions energy: -42.021
where: short stacking energy: -42.021
Base-Backbone interact. energy: -0.098
local terms energy: -56.887152
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -8.605
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: 3
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -86.157726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.157726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.157726 (E_RNA)
where:
Base-Base interactions energy: -27.220
where: short stacking energy: -17.963
Base-Backbone interact. energy: -0.313
local terms energy: -58.624755
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -13.595
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: 8
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -274.342641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.342641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.342641 (E_RNA)
where:
Base-Base interactions energy: -190.898
where: short stacking energy: -78.572
Base-Backbone interact. energy: -0.141
local terms energy: -83.304315
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -20.216
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -21.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -296.071216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.071216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.071216 (E_RNA)
where:
Base-Base interactions energy: -204.381
where: short stacking energy: -87.726
Base-Backbone interact. energy: -0.099
local terms energy: -91.591587
where:
bonds (distance) C4'-P energy: -18.534
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -26.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -284.739664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.739664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.739664 (E_RNA)
where:
Base-Base interactions energy: -198.957
where: short stacking energy: -79.899
Base-Backbone interact. energy: 0.754
local terms energy: -86.537104
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -22.892
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: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -226.000894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.000894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.000894 (E_RNA)
where:
Base-Base interactions energy: -145.211
where: short stacking energy: -67.022
Base-Backbone interact. energy: -1.084
local terms energy: -79.705383
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -227.524230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.524230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.524230 (E_RNA)
where:
Base-Base interactions energy: -148.646
where: short stacking energy: -72.695
Base-Backbone interact. energy: -0.437
local terms energy: -78.441417
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -10.246
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: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -213.893271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.893271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.893271 (E_RNA)
where:
Base-Base interactions energy: -141.782
where: short stacking energy: -62.989
Base-Backbone interact. energy: -0.059
local terms energy: -72.051896
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -18.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -152.835517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.835517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.835517 (E_RNA)
where:
Base-Base interactions energy: -88.597
where: short stacking energy: -36.599
Base-Backbone interact. energy: -1.119
local terms energy: -63.119581
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -100.346840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.346840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.346840 (E_RNA)
where:
Base-Base interactions energy: -32.097
where: short stacking energy: -30.374
Base-Backbone interact. energy: -0.377
local terms energy: -67.872893
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -7.072
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: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -90.779094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.779094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.779094 (E_RNA)
where:
Base-Base interactions energy: -45.354
where: short stacking energy: -28.597
Base-Backbone interact. energy: 0.220
local terms energy: -45.645070
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: 1.085
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: 3
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -84.726230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.726230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.726230 (E_RNA)
where:
Base-Base interactions energy: -27.274
where: short stacking energy: -21.980
Base-Backbone interact. energy: -1.097
local terms energy: -56.355617
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -282.714654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.714654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.714654 (E_RNA)
where:
Base-Base interactions energy: -194.751
where: short stacking energy: -80.687
Base-Backbone interact. energy: -0.223
local terms energy: -87.741046
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -23.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -290.053720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.053720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.053720 (E_RNA)
where:
Base-Base interactions energy: -199.676
where: short stacking energy: -79.790
Base-Backbone interact. energy: -0.097
local terms energy: -90.280941
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -23.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -281.318907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.318907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.318907 (E_RNA)
where:
Base-Base interactions energy: -188.983
where: short stacking energy: -84.533
Base-Backbone interact. energy: -0.040
local terms energy: -92.296549
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -23.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -231.317567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.317567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.317567 (E_RNA)
where:
Base-Base interactions energy: -145.765
where: short stacking energy: -64.727
Base-Backbone interact. energy: -0.258
local terms energy: -85.294749
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -16.108
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: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -221.093369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.093369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.093369 (E_RNA)
where:
Base-Base interactions energy: -142.759
where: short stacking energy: -67.060
Base-Backbone interact. energy: -0.220
local terms energy: -78.114271
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -208.595407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.595407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.595407 (E_RNA)
where:
Base-Base interactions energy: -141.160
where: short stacking energy: -59.020
Base-Backbone interact. energy: -0.164
local terms energy: -67.271950
where:
bonds (distance) C4'-P energy: -9.464
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -10.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -222.965905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.965905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.965905 (E_RNA)
where:
Base-Base interactions energy: -140.475
where: short stacking energy: -58.488
Base-Backbone interact. energy: -0.305
local terms energy: -82.186159
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -13.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -98.728971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.728971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.728971 (E_RNA)
where:
Base-Base interactions energy: -42.312
where: short stacking energy: -39.721
Base-Backbone interact. energy: 0.795
local terms energy: -57.212242
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -2.250
tors. eta vs tors. theta energy: -4.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -97.831641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.831641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.831641 (E_RNA)
where:
Base-Base interactions energy: -30.420
where: short stacking energy: -28.029
Base-Backbone interact. energy: -0.185
local terms energy: -67.226729
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -5.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -119.147733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.147733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.147733 (E_RNA)
where:
Base-Base interactions energy: -61.256
where: short stacking energy: -21.295
Base-Backbone interact. energy: -0.362
local terms energy: -57.529694
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: 0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -303.533240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.533240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.533240 (E_RNA)
where:
Base-Base interactions energy: -211.290
where: short stacking energy: -83.319
Base-Backbone interact. energy: -0.082
local terms energy: -92.161562
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -24.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -276.194741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.194741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.194741 (E_RNA)
where:
Base-Base interactions energy: -187.905
where: short stacking energy: -73.076
Base-Backbone interact. energy: -0.135
local terms energy: -88.155123
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -22.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -280.004356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.004356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.004356 (E_RNA)
where:
Base-Base interactions energy: -190.231
where: short stacking energy: -83.035
Base-Backbone interact. energy: -0.477
local terms energy: -89.296199
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -22.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -221.747286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.747286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.747286 (E_RNA)
where:
Base-Base interactions energy: -144.524
where: short stacking energy: -64.798
Base-Backbone interact. energy: -0.082
local terms energy: -77.141643
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -18.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -220.266476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.266476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.266476 (E_RNA)
where:
Base-Base interactions energy: -139.712
where: short stacking energy: -63.549
Base-Backbone interact. energy: -0.189
local terms energy: -80.365108
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -238.691384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.691384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.691384 (E_RNA)
where:
Base-Base interactions energy: -163.141
where: short stacking energy: -55.019
Base-Backbone interact. energy: -0.265
local terms energy: -75.285602
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -219.569855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.569855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.569855 (E_RNA)
where:
Base-Base interactions energy: -146.811
where: short stacking energy: -60.910
Base-Backbone interact. energy: -0.314
local terms energy: -72.444148
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -100.426886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.426886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.426886 (E_RNA)
where:
Base-Base interactions energy: -41.399
where: short stacking energy: -37.215
Base-Backbone interact. energy: 0.346
local terms energy: -59.373642
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: 0.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -105.678572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.678572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.678572 (E_RNA)
where:
Base-Base interactions energy: -47.530
where: short stacking energy: -24.679
Base-Backbone interact. energy: -0.444
local terms energy: -57.704898
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -8.838
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -6.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -83.080782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.080782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.080782 (E_RNA)
where:
Base-Base interactions energy: -26.003
where: short stacking energy: -26.003
Base-Backbone interact. energy: 0.160
local terms energy: -57.237535
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -0.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -287.732079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.732079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.732079 (E_RNA)
where:
Base-Base interactions energy: -200.359
where: short stacking energy: -88.929
Base-Backbone interact. energy: -0.082
local terms energy: -87.291430
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -24.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -289.612644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.612644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.612644 (E_RNA)
where:
Base-Base interactions energy: -192.677
where: short stacking energy: -87.242
Base-Backbone interact. energy: -0.133
local terms energy: -96.803312
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -22.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -266.347841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.347841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.347841 (E_RNA)
where:
Base-Base interactions energy: -176.808
where: short stacking energy: -65.615
Base-Backbone interact. energy: -0.960
local terms energy: -88.580068
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -19.394
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -222.458943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.458943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.458943 (E_RNA)
where:
Base-Base interactions energy: -140.705
where: short stacking energy: -68.817
Base-Backbone interact. energy: -0.098
local terms energy: -81.656406
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -17.728
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: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -223.990069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.990069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.990069 (E_RNA)
where:
Base-Base interactions energy: -141.289
where: short stacking energy: -64.616
Base-Backbone interact. energy: 1.222
local terms energy: -83.923026
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -15.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -259.731419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.731419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.731419 (E_RNA)
where:
Base-Base interactions energy: -179.729
where: short stacking energy: -76.467
Base-Backbone interact. energy: -0.314
local terms energy: -79.688097
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -236.089818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.089818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.089818 (E_RNA)
where:
Base-Base interactions energy: -153.133
where: short stacking energy: -68.018
Base-Backbone interact. energy: -0.078
local terms energy: -82.878934
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -18.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -98.118107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.118107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.118107 (E_RNA)
where:
Base-Base interactions energy: -33.869
where: short stacking energy: -30.444
Base-Backbone interact. energy: -0.232
local terms energy: -64.018028
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -13.048
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: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -91.465502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.465502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.465502 (E_RNA)
where:
Base-Base interactions energy: -37.798
where: short stacking energy: -37.798
Base-Backbone interact. energy: 1.064
local terms energy: -54.730774
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -5.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -83.370489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.370489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.370489 (E_RNA)
where:
Base-Base interactions energy: -30.123
where: short stacking energy: -25.970
Base-Backbone interact. energy: -0.184
local terms energy: -53.063651
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -285.303543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.303543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.303543 (E_RNA)
where:
Base-Base interactions energy: -195.425
where: short stacking energy: -85.730
Base-Backbone interact. energy: -0.094
local terms energy: -89.784986
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -23.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -295.722802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.722802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.722802 (E_RNA)
where:
Base-Base interactions energy: -209.509
where: short stacking energy: -90.978
Base-Backbone interact. energy: -0.013
local terms energy: -86.200207
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -25.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -275.894262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.894262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.894262 (E_RNA)
where:
Base-Base interactions energy: -193.640
where: short stacking energy: -71.487
Base-Backbone interact. energy: -0.014
local terms energy: -82.239765
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -20.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -224.675038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.675038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.675038 (E_RNA)
where:
Base-Base interactions energy: -149.239
where: short stacking energy: -63.396
Base-Backbone interact. energy: -0.057
local terms energy: -75.378652
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -248.096567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.096567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.096567 (E_RNA)
where:
Base-Base interactions energy: -163.847
where: short stacking energy: -65.620
Base-Backbone interact. energy: -0.964
local terms energy: -83.285409
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -207.901406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.901406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.901406 (E_RNA)
where:
Base-Base interactions energy: -135.628
where: short stacking energy: -64.991
Base-Backbone interact. energy: 0.530
local terms energy: -72.802607
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -16.573
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: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -231.316181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.316181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.316181 (E_RNA)
where:
Base-Base interactions energy: -149.474
where: short stacking energy: -64.585
Base-Backbone interact. energy: -0.457
local terms energy: -81.384432
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -20.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -113.199852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.199852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.199852 (E_RNA)
where:
Base-Base interactions energy: -38.847
where: short stacking energy: -33.801
Base-Backbone interact. energy: -0.088
local terms energy: -74.265778
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -100.844437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.844437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.844437 (E_RNA)
where:
Base-Base interactions energy: -37.632
where: short stacking energy: -28.619
Base-Backbone interact. energy: 0.323
local terms energy: -63.535059
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -8.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -85.379704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.379704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.379704 (E_RNA)
where:
Base-Base interactions energy: -34.448
where: short stacking energy: -33.527
Base-Backbone interact. energy: -0.152
local terms energy: -50.779782
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -9.011
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -279.146346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.146346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.146346 (E_RNA)
where:
Base-Base interactions energy: -186.456
where: short stacking energy: -84.381
Base-Backbone interact. energy: 2.389
local terms energy: -95.078806
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -16.453
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -285.947125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.947125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.947125 (E_RNA)
where:
Base-Base interactions energy: -192.808
where: short stacking energy: -77.039
Base-Backbone interact. energy: -0.042
local terms energy: -93.097730
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -23.284
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: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -278.696699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.696699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.696699 (E_RNA)
where:
Base-Base interactions energy: -187.073
where: short stacking energy: -72.412
Base-Backbone interact. energy: -0.099
local terms energy: -91.524697
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -21.832
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: 9
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -278.397957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.397957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.397957 (E_RNA)
where:
Base-Base interactions energy: -186.076
where: short stacking energy: -70.037
Base-Backbone interact. energy: -0.014
local terms energy: -92.308322
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -20.282
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -21.396
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: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -213.464754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.464754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.464754 (E_RNA)
where:
Base-Base interactions energy: -140.923
where: short stacking energy: -59.262
Base-Backbone interact. energy: -0.167
local terms energy: -72.374249
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -11.958
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: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -235.858220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.858220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.858220 (E_RNA)
where:
Base-Base interactions energy: -154.418
where: short stacking energy: -72.978
Base-Backbone interact. energy: -0.124
local terms energy: -81.315773
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -19.934
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -22.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -206.876497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.876497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.876497 (E_RNA)
where:
Base-Base interactions energy: -136.031
where: short stacking energy: -62.771
Base-Backbone interact. energy: -0.013
local terms energy: -70.832150
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -19.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -100.764456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.764456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.764456 (E_RNA)
where:
Base-Base interactions energy: -41.306
where: short stacking energy: -30.208
Base-Backbone interact. energy: -1.233
local terms energy: -58.225113
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -5.874
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: 3
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -96.176857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.176857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.176857 (E_RNA)
where:
Base-Base interactions energy: -31.085
where: short stacking energy: -31.085
Base-Backbone interact. energy: -0.720
local terms energy: -64.372196
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -83.937676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.937676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.937676 (E_RNA)
where:
Base-Base interactions energy: -31.817
where: short stacking energy: -28.833
Base-Backbone interact. energy: -0.344
local terms energy: -51.776750
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: 0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -293.493625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.493625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.493625 (E_RNA)
where:
Base-Base interactions energy: -202.346
where: short stacking energy: -83.277
Base-Backbone interact. energy: -0.535
local terms energy: -90.612710
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -24.129
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: 2, replica: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -289.845300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.845300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.845300 (E_RNA)
where:
Base-Base interactions energy: -192.407
where: short stacking energy: -81.205
Base-Backbone interact. energy: -0.233
local terms energy: -97.206177
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -23.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -283.741971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.741971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.741971 (E_RNA)
where:
Base-Base interactions energy: -190.754
where: short stacking energy: -79.030
Base-Backbone interact. energy: -0.192
local terms energy: -92.795429
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -19.026
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -25.542
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: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -274.647077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.647077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.647077 (E_RNA)
where:
Base-Base interactions energy: -184.417
where: short stacking energy: -71.625
Base-Backbone interact. energy: -0.099
local terms energy: -90.130272
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -24.312
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: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -276.873143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.873143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.873143 (E_RNA)
where:
Base-Base interactions energy: -185.218
where: short stacking energy: -81.215
Base-Backbone interact. energy: -0.092
local terms energy: -91.563357
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -207.500084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.500084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.500084 (E_RNA)
where:
Base-Base interactions energy: -132.839
where: short stacking energy: -58.147
Base-Backbone interact. energy: -0.200
local terms energy: -74.460904
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -10.817
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: 7, replica: 2
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -214.073433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.073433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.073433 (E_RNA)
where:
Base-Base interactions energy: -140.949
where: short stacking energy: -59.499
Base-Backbone interact. energy: 0.318
local terms energy: -73.442321
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -11.644
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: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -106.319111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.319111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.319111 (E_RNA)
where:
Base-Base interactions energy: -44.498
where: short stacking energy: -28.680
Base-Backbone interact. energy: 1.268
local terms energy: -63.089571
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -92.440745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.440745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.440745 (E_RNA)
where:
Base-Base interactions energy: -31.039
where: short stacking energy: -31.001
Base-Backbone interact. energy: -0.255
local terms energy: -61.146355
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -84.534065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.534065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.534065 (E_RNA)
where:
Base-Base interactions energy: -32.506
where: short stacking energy: -25.356
Base-Backbone interact. energy: 0.239
local terms energy: -52.267074
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -297.109310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.109310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.109310 (E_RNA)
where:
Base-Base interactions energy: -203.173
where: short stacking energy: -89.026
Base-Backbone interact. energy: -0.205
local terms energy: -93.731254
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -22.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -276.860253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.860253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.860253 (E_RNA)
where:
Base-Base interactions energy: -194.166
where: short stacking energy: -79.306
Base-Backbone interact. energy: 0.220
local terms energy: -82.914788
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -22.649
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: 10
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -269.437035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.437035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.437035 (E_RNA)
where:
Base-Base interactions energy: -182.501
where: short stacking energy: -89.812
Base-Backbone interact. energy: -1.026
local terms energy: -85.909543
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -25.626
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: 4, replica: 7
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -275.239275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.239275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.239275 (E_RNA)
where:
Base-Base interactions energy: -189.366
where: short stacking energy: -77.469
Base-Backbone interact. energy: -0.083
local terms energy: -85.790132
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -20.894
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: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -262.356409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.356409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.356409 (E_RNA)
where:
Base-Base interactions energy: -177.013
where: short stacking energy: -72.960
Base-Backbone interact. energy: -0.689
local terms energy: -84.654809
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -21.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -221.096376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.096376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.096376 (E_RNA)
where:
Base-Base interactions energy: -140.169
where: short stacking energy: -59.208
Base-Backbone interact. energy: -0.411
local terms energy: -80.516088
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -17.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -198.238708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.238708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.238708 (E_RNA)
where:
Base-Base interactions energy: -122.455
where: short stacking energy: -50.331
Base-Backbone interact. energy: -1.570
local terms energy: -74.214073
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -13.620
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: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -93.379761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.379761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.379761 (E_RNA)
where:
Base-Base interactions energy: -36.189
where: short stacking energy: -28.728
Base-Backbone interact. energy: -0.993
local terms energy: -56.197690
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: 1.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -88.219912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.219912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.219912 (E_RNA)
where:
Base-Base interactions energy: -30.679
where: short stacking energy: -30.740
Base-Backbone interact. energy: -0.278
local terms energy: -57.263091
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -9.788
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: 3
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -93.278941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.278941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.278941 (E_RNA)
where:
Base-Base interactions energy: -28.647
where: short stacking energy: -21.265
Base-Backbone interact. energy: -0.109
local terms energy: -64.522884
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -294.809010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.809010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.809010 (E_RNA)
where:
Base-Base interactions energy: -203.239
where: short stacking energy: -75.722
Base-Backbone interact. energy: -0.343
local terms energy: -91.226289
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -24.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -285.537412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.537412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.537412 (E_RNA)
where:
Base-Base interactions energy: -194.485
where: short stacking energy: -85.508
Base-Backbone interact. energy: 1.162
local terms energy: -92.214607
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -23.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -261.166338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.166338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.166338 (E_RNA)
where:
Base-Base interactions energy: -167.007
where: short stacking energy: -74.574
Base-Backbone interact. energy: -0.006
local terms energy: -94.152607
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -25.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -268.501868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.501868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.501868 (E_RNA)
where:
Base-Base interactions energy: -182.427
where: short stacking energy: -85.040
Base-Backbone interact. energy: -0.045
local terms energy: -86.029864
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -23.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -243.414789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.414789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.414789 (E_RNA)
where:
Base-Base interactions energy: -162.258
where: short stacking energy: -67.279
Base-Backbone interact. energy: -0.039
local terms energy: -81.117833
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -21.680
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: 8
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -256.580670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.580670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.580670 (E_RNA)
where:
Base-Base interactions energy: -170.185
where: short stacking energy: -67.186
Base-Backbone interact. energy: -1.298
local terms energy: -85.097208
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -12.525
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: 7, replica: 1
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -211.271046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.271046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.271046 (E_RNA)
where:
Base-Base interactions energy: -135.287
where: short stacking energy: -60.561
Base-Backbone interact. energy: 0.965
local terms energy: -76.948885
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -99.617606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.617606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.617606 (E_RNA)
where:
Base-Base interactions energy: -36.721
where: short stacking energy: -33.680
Base-Backbone interact. energy: 1.448
local terms energy: -64.345018
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -95.537530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.537530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.537530 (E_RNA)
where:
Base-Base interactions energy: -39.359
where: short stacking energy: -29.501
Base-Backbone interact. energy: -0.306
local terms energy: -55.872603
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -101.861878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.861878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.861878 (E_RNA)
where:
Base-Base interactions energy: -46.891
where: short stacking energy: -37.405
Base-Backbone interact. energy: 0.085
local terms energy: -55.056017
where:
bonds (distance) C4'-P energy: -7.506
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -5.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -288.244403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.244403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.244403 (E_RNA)
where:
Base-Base interactions energy: -197.246
where: short stacking energy: -72.523
Base-Backbone interact. energy: 1.289
local terms energy: -92.288098
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -21.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -283.319352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.319352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.319352 (E_RNA)
where:
Base-Base interactions energy: -193.487
where: short stacking energy: -83.295
Base-Backbone interact. energy: -0.023
local terms energy: -89.809209
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -14.297
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: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -276.549394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.549394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.549394 (E_RNA)
where:
Base-Base interactions energy: -181.023
where: short stacking energy: -77.977
Base-Backbone interact. energy: -0.011
local terms energy: -95.515370
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -20.620
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -25.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -277.851121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.851121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.851121 (E_RNA)
where:
Base-Base interactions energy: -190.599
where: short stacking energy: -79.511
Base-Backbone interact. energy: -0.670
local terms energy: -86.582048
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -23.117
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: 61
Temperature: 1.100000
Total energy: -230.555425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.555425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.555425 (E_RNA)
where:
Base-Base interactions energy: -145.530
where: short stacking energy: -48.290
Base-Backbone interact. energy: -0.430
local terms energy: -84.595535
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -14.901
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -252.456251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.456251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.456251 (E_RNA)
where:
Base-Base interactions energy: -168.184
where: short stacking energy: -68.750
Base-Backbone interact. energy: -0.057
local terms energy: -84.215201
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -22.180
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: 7, replica: 1
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -223.997966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.997966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.997966 (E_RNA)
where:
Base-Base interactions energy: -146.159
where: short stacking energy: -64.832
Base-Backbone interact. energy: -0.170
local terms energy: -77.668983
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -18.543
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -16.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -93.311749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.311749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.311749 (E_RNA)
where:
Base-Base interactions energy: -33.421
where: short stacking energy: -33.421
Base-Backbone interact. energy: -0.367
local terms energy: -59.523274
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -19.884
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -11.157
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: 9, replica: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -117.772537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.772537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.772537 (E_RNA)
where:
Base-Base interactions energy: -58.446
where: short stacking energy: -32.724
Base-Backbone interact. energy: -0.225
local terms energy: -59.101589
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -100.165025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.165025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.165025 (E_RNA)
where:
Base-Base interactions energy: -33.427
where: short stacking energy: -31.388
Base-Backbone interact. energy: 0.341
local terms energy: -67.078934
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -10.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -295.628590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.628590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.628590 (E_RNA)
where:
Base-Base interactions energy: -200.288
where: short stacking energy: -91.726
Base-Backbone interact. energy: -0.004
local terms energy: -95.336018
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -20.731
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -25.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -288.599312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.599312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.599312 (E_RNA)
where:
Base-Base interactions energy: -197.342
where: short stacking energy: -77.248
Base-Backbone interact. energy: -0.182
local terms energy: -91.076233
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -18.615
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -25.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -282.142674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.142674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.142674 (E_RNA)
where:
Base-Base interactions energy: -184.597
where: short stacking energy: -86.858
Base-Backbone interact. energy: -0.023
local terms energy: -97.522770
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -26.890
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: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -281.288029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.288029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.288029 (E_RNA)
where:
Base-Base interactions energy: -193.440
where: short stacking energy: -83.023
Base-Backbone interact. energy: -0.025
local terms energy: -87.823786
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -264.133456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.133456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.133456 (E_RNA)
where:
Base-Base interactions energy: -189.540
where: short stacking energy: -71.433
Base-Backbone interact. energy: -0.153
local terms energy: -74.440514
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -19.811
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: 6, replica: 2
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -219.441688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.441688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.441688 (E_RNA)
where:
Base-Base interactions energy: -139.520
where: short stacking energy: -61.645
Base-Backbone interact. energy: -0.122
local terms energy: -79.799650
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -19.688
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -205.081885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.081885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.081885 (E_RNA)
where:
Base-Base interactions energy: -127.996
where: short stacking energy: -48.491
Base-Backbone interact. energy: -0.198
local terms energy: -76.887340
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -102.517561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.517561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.517561 (E_RNA)
where:
Base-Base interactions energy: -38.101
where: short stacking energy: -33.172
Base-Backbone interact. energy: -0.111
local terms energy: -64.305594
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -18.962
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -7.126
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: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -100.503829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.503829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.503829 (E_RNA)
where:
Base-Base interactions energy: -28.520
where: short stacking energy: -27.755
Base-Backbone interact. energy: -0.471
local terms energy: -71.513082
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -86.098030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.098030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.098030 (E_RNA)
where:
Base-Base interactions energy: -28.650
where: short stacking energy: -27.789
Base-Backbone interact. energy: -0.332
local terms energy: -57.116601
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -8.190
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: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -292.531936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.531936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.531936 (E_RNA)
where:
Base-Base interactions energy: -197.118
where: short stacking energy: -86.402
Base-Backbone interact. energy: -0.103
local terms energy: -95.310829
where:
bonds (distance) C4'-P energy: -21.937
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -19.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -273.851801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.851801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.851801 (E_RNA)
where:
Base-Base interactions energy: -186.801
where: short stacking energy: -71.638
Base-Backbone interact. energy: -0.191
local terms energy: -86.860018
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -22.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -281.326443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.326443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.326443 (E_RNA)
where:
Base-Base interactions energy: -178.714
where: short stacking energy: -75.360
Base-Backbone interact. energy: -0.107
local terms energy: -102.505842
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -16.074
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: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -270.637160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.637160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.637160 (E_RNA)
where:
Base-Base interactions energy: -177.354
where: short stacking energy: -76.694
Base-Backbone interact. energy: -0.001
local terms energy: -93.282425
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -23.348
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: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -263.547593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.547593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.547593 (E_RNA)
where:
Base-Base interactions energy: -193.191
where: short stacking energy: -71.576
Base-Backbone interact. energy: -0.006
local terms energy: -70.349914
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -20.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -210.781423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.781423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.781423 (E_RNA)
where:
Base-Base interactions energy: -137.044
where: short stacking energy: -55.793
Base-Backbone interact. energy: -0.343
local terms energy: -73.394970
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -15.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -213.392536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.392536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.392536 (E_RNA)
where:
Base-Base interactions energy: -140.686
where: short stacking energy: -62.452
Base-Backbone interact. energy: -0.022
local terms energy: -72.684819
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -16.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -103.797147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.797147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.797147 (E_RNA)
where:
Base-Base interactions energy: -52.085
where: short stacking energy: -38.774
Base-Backbone interact. energy: 0.450
local terms energy: -52.161796
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: 1.029
tors. eta vs tors. theta energy: -4.554
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: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -124.837168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.837168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.837168 (E_RNA)
where:
Base-Base interactions energy: -74.972
where: short stacking energy: -39.425
Base-Backbone interact. energy: 0.421
local terms energy: -50.286127
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -9.880
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -88.303854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.303854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.303854 (E_RNA)
where:
Base-Base interactions energy: -27.683
where: short stacking energy: -27.037
Base-Backbone interact. energy: -0.276
local terms energy: -60.344558
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: 0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -290.039465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.039465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.039465 (E_RNA)
where:
Base-Base interactions energy: -197.938
where: short stacking energy: -76.598
Base-Backbone interact. energy: -0.179
local terms energy: -91.923185
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -13.938
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: 2, replica: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -285.058265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.058265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.058265 (E_RNA)
where:
Base-Base interactions energy: -192.801
where: short stacking energy: -88.198
Base-Backbone interact. energy: -0.042
local terms energy: -92.214605
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -28.135
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: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -286.212556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.212556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.212556 (E_RNA)
where:
Base-Base interactions energy: -194.543
where: short stacking energy: -83.533
Base-Backbone interact. energy: -0.307
local terms energy: -91.362151
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -23.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -271.199677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.199677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.199677 (E_RNA)
where:
Base-Base interactions energy: -177.859
where: short stacking energy: -86.099
Base-Backbone interact. energy: -0.059
local terms energy: -93.280963
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -26.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -253.979428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.979428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.979428 (E_RNA)
where:
Base-Base interactions energy: -169.879
where: short stacking energy: -67.007
Base-Backbone interact. energy: -0.008
local terms energy: -84.092316
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -10.954
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: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -217.170655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.170655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.170655 (E_RNA)
where:
Base-Base interactions energy: -144.576
where: short stacking energy: -64.419
Base-Backbone interact. energy: -0.138
local terms energy: -72.456203
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -218.122744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.122744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.122744 (E_RNA)
where:
Base-Base interactions energy: -131.994
where: short stacking energy: -55.512
Base-Backbone interact. energy: 0.517
local terms energy: -86.645258
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -18.250
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: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -106.137833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.137833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.137833 (E_RNA)
where:
Base-Base interactions energy: -40.112
where: short stacking energy: -30.303
Base-Backbone interact. energy: -0.158
local terms energy: -65.867915
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -166.327573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.327573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.327573 (E_RNA)
where:
Base-Base interactions energy: -100.057
where: short stacking energy: -50.230
Base-Backbone interact. energy: -0.243
local terms energy: -66.027024
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -8.006
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: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -92.843225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.843225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.843225 (E_RNA)
where:
Base-Base interactions energy: -33.450
where: short stacking energy: -24.654
Base-Backbone interact. energy: 0.739
local terms energy: -60.132398
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -7.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -291.714107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.714107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.714107 (E_RNA)
where:
Base-Base interactions energy: -198.965
where: short stacking energy: -69.477
Base-Backbone interact. energy: -0.036
local terms energy: -92.712997
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -25.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -292.044069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.044069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.044069 (E_RNA)
where:
Base-Base interactions energy: -193.571
where: short stacking energy: -93.035
Base-Backbone interact. energy: -0.000
local terms energy: -98.472559
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -21.402
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -26.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -277.844655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.844655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.844655 (E_RNA)
where:
Base-Base interactions energy: -188.411
where: short stacking energy: -84.052
Base-Backbone interact. energy: -0.012
local terms energy: -89.422312
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -24.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -280.560321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.560321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.560321 (E_RNA)
where:
Base-Base interactions energy: -188.182
where: short stacking energy: -83.030
Base-Backbone interact. energy: -0.003
local terms energy: -92.374609
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -22.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -243.096095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.096095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.096095 (E_RNA)
where:
Base-Base interactions energy: -166.056
where: short stacking energy: -73.919
Base-Backbone interact. energy: -0.088
local terms energy: -76.952395
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -7.624
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -23.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -219.592863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.592863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.592863 (E_RNA)
where:
Base-Base interactions energy: -143.073
where: short stacking energy: -72.384
Base-Backbone interact. energy: -0.506
local terms energy: -76.013584
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -19.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -203.733769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.733769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.733769 (E_RNA)
where:
Base-Base interactions energy: -126.812
where: short stacking energy: -52.011
Base-Backbone interact. energy: -0.103
local terms energy: -76.819589
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -19.372
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -14.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -127.572943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.572943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.572943 (E_RNA)
where:
Base-Base interactions energy: -65.218
where: short stacking energy: -40.829
Base-Backbone interact. energy: 1.709
local terms energy: -64.063479
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -9.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -92.548938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.548938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.548938 (E_RNA)
where:
Base-Base interactions energy: -33.525
where: short stacking energy: -33.525
Base-Backbone interact. energy: 0.466
local terms energy: -59.490244
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -95.667005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.667005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.667005 (E_RNA)
where:
Base-Base interactions energy: -42.178
where: short stacking energy: -28.231
Base-Backbone interact. energy: 0.267
local terms energy: -53.756264
where:
bonds (distance) C4'-P energy: -9.120
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: 0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -283.521931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.521931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.521931 (E_RNA)
where:
Base-Base interactions energy: -198.742
where: short stacking energy: -75.538
Base-Backbone interact. energy: -0.461
local terms energy: -84.319157
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -24.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -290.469904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.469904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.469904 (E_RNA)
where:
Base-Base interactions energy: -192.941
where: short stacking energy: -81.524
Base-Backbone interact. energy: -0.099
local terms energy: -97.429733
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -26.794
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: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -284.102162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.102162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.102162 (E_RNA)
where:
Base-Base interactions energy: -188.095
where: short stacking energy: -80.490
Base-Backbone interact. energy: -2.169
local terms energy: -93.838363
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -25.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -271.444858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.444858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.444858 (E_RNA)
where:
Base-Base interactions energy: -180.244
where: short stacking energy: -83.763
Base-Backbone interact. energy: -0.014
local terms energy: -91.186926
where:
bonds (distance) C4'-P energy: -19.898
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -23.618
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: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -250.561607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.561607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.561607 (E_RNA)
where:
Base-Base interactions energy: -167.698
where: short stacking energy: -63.338
Base-Backbone interact. energy: -0.023
local terms energy: -82.840579
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -215.021599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.021599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.021599 (E_RNA)
where:
Base-Base interactions energy: -136.103
where: short stacking energy: -59.623
Base-Backbone interact. energy: -0.058
local terms energy: -78.860280
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -207.221104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.221104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.221104 (E_RNA)
where:
Base-Base interactions energy: -133.798
where: short stacking energy: -54.161
Base-Backbone interact. energy: -0.542
local terms energy: -72.880758
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -12.429
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: 3
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -101.464721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.464721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.464721 (E_RNA)
where:
Base-Base interactions energy: -45.291
where: short stacking energy: -26.238
Base-Backbone interact. energy: -0.479
local terms energy: -55.695109
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -0.914
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: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -105.413209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.413209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.413209 (E_RNA)
where:
Base-Base interactions energy: -36.347
where: short stacking energy: -35.867
Base-Backbone interact. energy: -0.088
local terms energy: -68.978880
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -4.761
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: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -86.603012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.603012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.603012 (E_RNA)
where:
Base-Base interactions energy: -24.370
where: short stacking energy: -21.613
Base-Backbone interact. energy: -0.926
local terms energy: -61.306804
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -3.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -281.882985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.882985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.882985 (E_RNA)
where:
Base-Base interactions energy: -202.794
where: short stacking energy: -75.071
Base-Backbone interact. energy: -0.180
local terms energy: -78.908725
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -19.254
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -19.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -295.384118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.384118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.384118 (E_RNA)
where:
Base-Base interactions energy: -196.603
where: short stacking energy: -78.846
Base-Backbone interact. energy: -0.209
local terms energy: -98.572187
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -23.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -277.134798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.134798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.134798 (E_RNA)
where:
Base-Base interactions energy: -178.464
where: short stacking energy: -82.006
Base-Backbone interact. energy: -0.005
local terms energy: -98.666323
where:
bonds (distance) C4'-P energy: -18.261
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -16.016
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: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -283.952052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.952052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.952052 (E_RNA)
where:
Base-Base interactions energy: -186.139
where: short stacking energy: -86.232
Base-Backbone interact. energy: -0.081
local terms energy: -97.732124
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -18.807
flat angles C4'-P-C4' energy: -20.607
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -25.455
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: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -232.951026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.951026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.951026 (E_RNA)
where:
Base-Base interactions energy: -156.826
where: short stacking energy: -60.841
Base-Backbone interact. energy: -0.340
local terms energy: -75.785006
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -12.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -215.368924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.368924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.368924 (E_RNA)
where:
Base-Base interactions energy: -141.997
where: short stacking energy: -63.551
Base-Backbone interact. energy: 0.043
local terms energy: -73.414620
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -16.046
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: 2
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -229.232464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.232464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.232464 (E_RNA)
where:
Base-Base interactions energy: -157.778
where: short stacking energy: -62.899
Base-Backbone interact. energy: -0.661
local terms energy: -70.793301
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -10.510
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: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -133.313155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.313155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.313155 (E_RNA)
where:
Base-Base interactions energy: -78.363
where: short stacking energy: -42.879
Base-Backbone interact. energy: -1.627
local terms energy: -53.322975
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -102.373856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.373856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.373856 (E_RNA)
where:
Base-Base interactions energy: -44.244
where: short stacking energy: -36.596
Base-Backbone interact. energy: -1.012
local terms energy: -57.118029
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -2.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -85.400311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.400311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.400311 (E_RNA)
where:
Base-Base interactions energy: -30.662
where: short stacking energy: -20.066
Base-Backbone interact. energy: -0.410
local terms energy: -54.328111
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: 2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -296.486503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.486503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.486503 (E_RNA)
where:
Base-Base interactions energy: -195.652
where: short stacking energy: -84.443
Base-Backbone interact. energy: -1.247
local terms energy: -99.586797
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -22.497
flat angles P-C4'-P energy: -14.738
tors. eta vs tors. theta energy: -24.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -286.436582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.436582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.436582 (E_RNA)
where:
Base-Base interactions energy: -192.286
where: short stacking energy: -73.783
Base-Backbone interact. energy: -0.158
local terms energy: -93.992154
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -24.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -277.989679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.989679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.989679 (E_RNA)
where:
Base-Base interactions energy: -200.320
where: short stacking energy: -81.828
Base-Backbone interact. energy: -0.112
local terms energy: -77.557078
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -18.149
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: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -271.433125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.433125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.433125 (E_RNA)
where:
Base-Base interactions energy: -186.098
where: short stacking energy: -82.031
Base-Backbone interact. energy: -0.144
local terms energy: -85.190362
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -16.119
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: 5, replica: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -214.594977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.594977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.594977 (E_RNA)
where:
Base-Base interactions energy: -143.075
where: short stacking energy: -65.487
Base-Backbone interact. energy: -0.027
local terms energy: -71.492186
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -15.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -203.616129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.616129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.616129 (E_RNA)
where:
Base-Base interactions energy: -126.216
where: short stacking energy: -53.305
Base-Backbone interact. energy: 0.830
local terms energy: -78.229293
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -12.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -232.657970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.657970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.657970 (E_RNA)
where:
Base-Base interactions energy: -155.220
where: short stacking energy: -53.870
Base-Backbone interact. energy: -0.002
local terms energy: -77.435742
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -21.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -111.697494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.697494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.697494 (E_RNA)
where:
Base-Base interactions energy: -55.532
where: short stacking energy: -27.383
Base-Backbone interact. energy: -0.623
local terms energy: -55.542686
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: 1.628
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: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -92.895397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.895397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.895397 (E_RNA)
where:
Base-Base interactions energy: -29.289
where: short stacking energy: -27.501
Base-Backbone interact. energy: -0.103
local terms energy: -63.503228
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -2.049
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: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -92.115144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.115144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.115144 (E_RNA)
where:
Base-Base interactions energy: -41.612
where: short stacking energy: -37.692
Base-Backbone interact. energy: 0.709
local terms energy: -51.211874
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -0.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -293.770257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.770257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.770257 (E_RNA)
where:
Base-Base interactions energy: -194.408
where: short stacking energy: -81.663
Base-Backbone interact. energy: -0.016
local terms energy: -99.345523
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -22.346
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: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -287.703142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.703142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.703142 (E_RNA)
where:
Base-Base interactions energy: -196.852
where: short stacking energy: -84.788
Base-Backbone interact. energy: -0.024
local terms energy: -90.827196
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -24.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -280.764191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.764191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.764191 (E_RNA)
where:
Base-Base interactions energy: -191.668
where: short stacking energy: -80.697
Base-Backbone interact. energy: -0.273
local terms energy: -88.822762
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -24.701
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: 10
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -267.484896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.484896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.484896 (E_RNA)
where:
Base-Base interactions energy: -181.560
where: short stacking energy: -84.056
Base-Backbone interact. energy: -0.231
local terms energy: -85.694586
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -26.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -220.242101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.242101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.242101 (E_RNA)
where:
Base-Base interactions energy: -144.191
where: short stacking energy: -60.438
Base-Backbone interact. energy: -0.481
local terms energy: -75.569877
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -214.567927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.567927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.567927 (E_RNA)
where:
Base-Base interactions energy: -141.368
where: short stacking energy: -64.785
Base-Backbone interact. energy: -0.103
local terms energy: -73.097046
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -10.668
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -18.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -188.120242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.120242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.120242 (E_RNA)
where:
Base-Base interactions energy: -119.261
where: short stacking energy: -58.567
Base-Backbone interact. energy: -0.096
local terms energy: -68.762676
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -4.212
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -100.591956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.591956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.591956 (E_RNA)
where:
Base-Base interactions energy: -33.481
where: short stacking energy: -26.565
Base-Backbone interact. energy: -0.249
local terms energy: -66.862814
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -5.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -90.028704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.028704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.028704 (E_RNA)
where:
Base-Base interactions energy: -27.656
where: short stacking energy: -17.237
Base-Backbone interact. energy: -0.811
local terms energy: -61.561807
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: 0.224
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: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -90.513547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.513547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.513547 (E_RNA)
where:
Base-Base interactions energy: -27.779
where: short stacking energy: -27.779
Base-Backbone interact. energy: -0.206
local terms energy: -62.528205
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -286.297699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.297699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.297699 (E_RNA)
where:
Base-Base interactions energy: -188.403
where: short stacking energy: -83.990
Base-Backbone interact. energy: -0.456
local terms energy: -97.438113
where:
bonds (distance) C4'-P energy: -20.398
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -24.027
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: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -288.278121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.278121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.278121 (E_RNA)
where:
Base-Base interactions energy: -197.736
where: short stacking energy: -72.977
Base-Backbone interact. energy: -0.064
local terms energy: -90.478572
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -24.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -284.567171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.567171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.567171 (E_RNA)
where:
Base-Base interactions energy: -189.333
where: short stacking energy: -84.610
Base-Backbone interact. energy: -0.134
local terms energy: -95.099905
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -14.546
tors. eta vs tors. theta energy: -22.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -264.331278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.331278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.331278 (E_RNA)
where:
Base-Base interactions energy: -184.580
where: short stacking energy: -81.307
Base-Backbone interact. energy: -0.027
local terms energy: -79.724069
where:
bonds (distance) C4'-P energy: -20.968
bonds (distance) P-C4' energy: -10.121
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -22.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -220.571650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.571650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.571650 (E_RNA)
where:
Base-Base interactions energy: -142.528
where: short stacking energy: -66.722
Base-Backbone interact. energy: -0.078
local terms energy: -77.965446
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -16.579
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: 6, replica: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -214.655513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.655513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.655513 (E_RNA)
where:
Base-Base interactions energy: -140.060
where: short stacking energy: -62.631
Base-Backbone interact. energy: -0.321
local terms energy: -74.274890
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -202.350432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.350432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.350432 (E_RNA)
where:
Base-Base interactions energy: -141.665
where: short stacking energy: -64.048
Base-Backbone interact. energy: -0.115
local terms energy: -60.570323
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -16.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -97.409547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.409547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.409547 (E_RNA)
where:
Base-Base interactions energy: -38.159
where: short stacking energy: -35.547
Base-Backbone interact. energy: -0.198
local terms energy: -59.052676
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: 3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -93.533751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.533751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.533751 (E_RNA)
where:
Base-Base interactions energy: -26.626
where: short stacking energy: -26.257
Base-Backbone interact. energy: -0.062
local terms energy: -66.846419
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -22.547
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -87.875836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.875836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.875836 (E_RNA)
where:
Base-Base interactions energy: -27.367
where: short stacking energy: -27.367
Base-Backbone interact. energy: -0.522
local terms energy: -59.986619
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -1.583
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: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -294.080090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.080090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.080090 (E_RNA)
where:
Base-Base interactions energy: -204.596
where: short stacking energy: -86.182
Base-Backbone interact. energy: 0.124
local terms energy: -89.608358
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -25.846
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: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -294.771978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.771978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.771978 (E_RNA)
where:
Base-Base interactions energy: -208.099
where: short stacking energy: -80.893
Base-Backbone interact. energy: -0.083
local terms energy: -86.589978
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -23.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -271.647392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.647392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.647392 (E_RNA)
where:
Base-Base interactions energy: -185.874
where: short stacking energy: -67.647
Base-Backbone interact. energy: -0.077
local terms energy: -85.695845
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -19.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -277.681235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.681235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.681235 (E_RNA)
where:
Base-Base interactions energy: -186.029
where: short stacking energy: -84.809
Base-Backbone interact. energy: -0.006
local terms energy: -91.646323
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -25.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -224.133126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.133126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.133126 (E_RNA)
where:
Base-Base interactions energy: -139.855
where: short stacking energy: -69.032
Base-Backbone interact. energy: 0.355
local terms energy: -84.633796
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -23.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -220.395124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.395124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.395124 (E_RNA)
where:
Base-Base interactions energy: -138.670
where: short stacking energy: -64.016
Base-Backbone interact. energy: -0.002
local terms energy: -81.723502
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -16.572
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: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -202.434234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.434234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.434234 (E_RNA)
where:
Base-Base interactions energy: -124.562
where: short stacking energy: -61.810
Base-Backbone interact. energy: -0.266
local terms energy: -77.606216
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -16.706
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: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -96.603465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.603465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.603465 (E_RNA)
where:
Base-Base interactions energy: -34.237
where: short stacking energy: -28.490
Base-Backbone interact. energy: 0.954
local terms energy: -63.320676
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -18.127
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -100.598335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.598335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.598335 (E_RNA)
where:
Base-Base interactions energy: -43.383
where: short stacking energy: -42.268
Base-Backbone interact. energy: -0.042
local terms energy: -57.172627
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -12.640
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -4.903
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: 3
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -91.847724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.847724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.847724 (E_RNA)
where:
Base-Base interactions energy: -41.062
where: short stacking energy: -41.062
Base-Backbone interact. energy: -0.539
local terms energy: -50.246997
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -291.752160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.752160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.752160 (E_RNA)
where:
Base-Base interactions energy: -197.648
where: short stacking energy: -87.400
Base-Backbone interact. energy: -0.024
local terms energy: -94.080385
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -20.204
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -27.527
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: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -289.360486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.360486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.360486 (E_RNA)
where:
Base-Base interactions energy: -200.125
where: short stacking energy: -81.923
Base-Backbone interact. energy: -0.064
local terms energy: -89.171383
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -25.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -284.673343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.673343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.673343 (E_RNA)
where:
Base-Base interactions energy: -197.611
where: short stacking energy: -76.290
Base-Backbone interact. energy: 0.972
local terms energy: -88.035020
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -21.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -262.316587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.316587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.316587 (E_RNA)
where:
Base-Base interactions energy: -180.827
where: short stacking energy: -79.036
Base-Backbone interact. energy: -0.120
local terms energy: -81.369040
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -22.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -222.175874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.175874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.175874 (E_RNA)
where:
Base-Base interactions energy: -143.428
where: short stacking energy: -65.204
Base-Backbone interact. energy: -0.190
local terms energy: -78.557532
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -228.564721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.564721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.564721 (E_RNA)
where:
Base-Base interactions energy: -144.241
where: short stacking energy: -63.140
Base-Backbone interact. energy: -0.011
local terms energy: -84.312544
where:
bonds (distance) C4'-P energy: -17.784
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -20.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -230.984672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.984672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.984672 (E_RNA)
where:
Base-Base interactions energy: -149.690
where: short stacking energy: -66.278
Base-Backbone interact. energy: -0.385
local terms energy: -80.910222
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -20.082
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -23.166
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: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -102.740121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.740121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.740121 (E_RNA)
where:
Base-Base interactions energy: -40.737
where: short stacking energy: -39.691
Base-Backbone interact. energy: -0.289
local terms energy: -61.714097
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -5.515
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: 9, replica: 3
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -94.039584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.039584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.039584 (E_RNA)
where:
Base-Base interactions energy: -35.763
where: short stacking energy: -35.763
Base-Backbone interact. energy: -0.146
local terms energy: -58.130863
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: 2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -88.907645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.907645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.907645 (E_RNA)
where:
Base-Base interactions energy: -27.788
where: short stacking energy: -18.988
Base-Backbone interact. energy: -0.094
local terms energy: -61.025799
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -16.140
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -289.642642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.642642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.642642 (E_RNA)
where:
Base-Base interactions energy: -194.021
where: short stacking energy: -81.879
Base-Backbone interact. energy: 0.627
local terms energy: -96.248564
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -22.596
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: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -278.623281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.623281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.623281 (E_RNA)
where:
Base-Base interactions energy: -191.835
where: short stacking energy: -74.303
Base-Backbone interact. energy: -0.195
local terms energy: -86.593365
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -8.355
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: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -281.597821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.597821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.597821 (E_RNA)
where:
Base-Base interactions energy: -182.963
where: short stacking energy: -77.526
Base-Backbone interact. energy: -0.133
local terms energy: -98.501716
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -25.321
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: 10
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -254.176454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.176454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.176454 (E_RNA)
where:
Base-Base interactions energy: -174.142
where: short stacking energy: -76.270
Base-Backbone interact. energy: 0.255
local terms energy: -80.289817
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -11.963
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -22.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -239.615488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.615488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.615488 (E_RNA)
where:
Base-Base interactions energy: -147.539
where: short stacking energy: -72.793
Base-Backbone interact. energy: -0.439
local terms energy: -91.637358
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -23.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -219.361512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.361512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.361512 (E_RNA)
where:
Base-Base interactions energy: -149.522
where: short stacking energy: -65.687
Base-Backbone interact. energy: -0.145
local terms energy: -69.693634
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -3.657
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -196.477382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.477382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.477382 (E_RNA)
where:
Base-Base interactions energy: -116.560
where: short stacking energy: -53.355
Base-Backbone interact. energy: -0.003
local terms energy: -79.914354
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -10.279
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: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -123.182866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.182866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.182866 (E_RNA)
where:
Base-Base interactions energy: -59.011
where: short stacking energy: -28.372
Base-Backbone interact. energy: -0.771
local terms energy: -63.400890
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -102.109164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.109164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.109164 (E_RNA)
where:
Base-Base interactions energy: -43.910
where: short stacking energy: -31.916
Base-Backbone interact. energy: -0.335
local terms energy: -57.864552
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -19.351
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -2.106
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: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -90.707437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.707437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.707437 (E_RNA)
where:
Base-Base interactions energy: -33.681
where: short stacking energy: -31.448
Base-Backbone interact. energy: -0.311
local terms energy: -56.715464
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: -3.422
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: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -284.319074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.319074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.319074 (E_RNA)
where:
Base-Base interactions energy: -193.896
where: short stacking energy: -72.333
Base-Backbone interact. energy: -0.787
local terms energy: -89.636765
where:
bonds (distance) C4'-P energy: -21.793
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -19.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -281.679520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.679520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.679520 (E_RNA)
where:
Base-Base interactions energy: -186.269
where: short stacking energy: -84.049
Base-Backbone interact. energy: -0.100
local terms energy: -95.310320
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -25.260
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: 3, replica: 10
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -254.048595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.048595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.048595 (E_RNA)
where:
Base-Base interactions energy: -166.499
where: short stacking energy: -68.399
Base-Backbone interact. energy: -0.015
local terms energy: -87.534904
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -20.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -266.556012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.556012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.556012 (E_RNA)
where:
Base-Base interactions energy: -180.473
where: short stacking energy: -71.204
Base-Backbone interact. energy: -0.055
local terms energy: -86.027596
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -23.774
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: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -222.288156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.288156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.288156 (E_RNA)
where:
Base-Base interactions energy: -142.936
where: short stacking energy: -69.667
Base-Backbone interact. energy: 0.157
local terms energy: -79.509506
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -18.547
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: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -210.664754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.664754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.664754 (E_RNA)
where:
Base-Base interactions energy: -131.830
where: short stacking energy: -60.523
Base-Backbone interact. energy: -0.371
local terms energy: -78.463361
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -17.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -210.897940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.897940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.897940 (E_RNA)
where:
Base-Base interactions energy: -145.084
where: short stacking energy: -65.763
Base-Backbone interact. energy: 0.684
local terms energy: -66.497551
where:
bonds (distance) C4'-P energy: -6.801
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -13.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -110.262169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.262169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.262169 (E_RNA)
where:
Base-Base interactions energy: -43.921
where: short stacking energy: -41.991
Base-Backbone interact. energy: -1.361
local terms energy: -64.980213
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -8.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -87.917167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.917167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.917167 (E_RNA)
where:
Base-Base interactions energy: -29.043
where: short stacking energy: -27.721
Base-Backbone interact. energy: -0.169
local terms energy: -58.705299
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -100.978449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.978449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.978449 (E_RNA)
where:
Base-Base interactions energy: -43.616
where: short stacking energy: -27.236
Base-Backbone interact. energy: -0.402
local terms energy: -56.960061
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: 1.899
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: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -287.913752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.913752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.913752 (E_RNA)
where:
Base-Base interactions energy: -202.373
where: short stacking energy: -76.377
Base-Backbone interact. energy: 2.040
local terms energy: -87.581319
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -22.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -293.245652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.245652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.245652 (E_RNA)
where:
Base-Base interactions energy: -200.967
where: short stacking energy: -86.301
Base-Backbone interact. energy: -0.092
local terms energy: -92.185871
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -19.068
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -15.123
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: 3, replica: 10
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -250.882586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.882586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.882586 (E_RNA)
where:
Base-Base interactions energy: -163.711
where: short stacking energy: -78.748
Base-Backbone interact. energy: -0.212
local terms energy: -86.959299
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -20.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -266.057136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.057136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.057136 (E_RNA)
where:
Base-Base interactions energy: -173.557
where: short stacking energy: -83.597
Base-Backbone interact. energy: -1.183
local terms energy: -91.316840
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -26.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -230.354097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.354097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.354097 (E_RNA)
where:
Base-Base interactions energy: -153.635
where: short stacking energy: -75.477
Base-Backbone interact. energy: -0.585
local terms energy: -76.133783
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -19.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -216.342644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.342644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.342644 (E_RNA)
where:
Base-Base interactions energy: -144.007
where: short stacking energy: -64.718
Base-Backbone interact. energy: -0.047
local terms energy: -72.289114
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -17.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -206.722877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.722877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.722877 (E_RNA)
where:
Base-Base interactions energy: -139.137
where: short stacking energy: -65.363
Base-Backbone interact. energy: -0.428
local terms energy: -67.157554
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -18.328
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: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -100.497199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.497199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.497199 (E_RNA)
where:
Base-Base interactions energy: -45.785
where: short stacking energy: -19.559
Base-Backbone interact. energy: 0.214
local terms energy: -54.926082
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -12.979
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: 9, replica: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -96.419192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.419192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.419192 (E_RNA)
where:
Base-Base interactions energy: -39.264
where: short stacking energy: -38.468
Base-Backbone interact. energy: -0.108
local terms energy: -57.047375
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -1.569
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -102.758539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.758539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.758539 (E_RNA)
where:
Base-Base interactions energy: -40.099
where: short stacking energy: -34.792
Base-Backbone interact. energy: -0.061
local terms energy: -62.598510
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -6.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -300.671990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.671990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.671990 (E_RNA)
where:
Base-Base interactions energy: -201.802
where: short stacking energy: -81.358
Base-Backbone interact. energy: -0.111
local terms energy: -98.758771
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -22.907
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -21.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -291.119201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.119201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.119201 (E_RNA)
where:
Base-Base interactions energy: -204.838
where: short stacking energy: -80.386
Base-Backbone interact. energy: -0.134
local terms energy: -86.148061
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -19.600
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -23.404
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: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -278.881594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.881594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.881594 (E_RNA)
where:
Base-Base interactions energy: -194.661
where: short stacking energy: -82.718
Base-Backbone interact. energy: -0.085
local terms energy: -84.136237
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -23.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -245.548273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.548273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.548273 (E_RNA)
where:
Base-Base interactions energy: -161.207
where: short stacking energy: -84.644
Base-Backbone interact. energy: 1.025
local terms energy: -85.366543
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -11.105
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -25.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -223.436980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.436980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.436980 (E_RNA)
where:
Base-Base interactions energy: -147.683
where: short stacking energy: -71.237
Base-Backbone interact. energy: 0.291
local terms energy: -76.044241
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -15.883
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: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -211.319152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.319152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.319152 (E_RNA)
where:
Base-Base interactions energy: -136.557
where: short stacking energy: -59.502
Base-Backbone interact. energy: -0.001
local terms energy: -74.761666
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -223.065487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.065487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.065487 (E_RNA)
where:
Base-Base interactions energy: -143.262
where: short stacking energy: -60.895
Base-Backbone interact. energy: -0.623
local terms energy: -79.181235
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -12.847
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: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -124.263796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.263796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.263796 (E_RNA)
where:
Base-Base interactions energy: -65.881
where: short stacking energy: -27.669
Base-Backbone interact. energy: 1.667
local terms energy: -60.050120
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -0.284
tors. eta vs tors. theta energy: -7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -99.404372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.404372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.404372 (E_RNA)
where:
Base-Base interactions energy: -40.355
where: short stacking energy: -31.814
Base-Backbone interact. energy: -0.138
local terms energy: -58.911275
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -95.678502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.678502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.678502 (E_RNA)
where:
Base-Base interactions energy: -40.667
where: short stacking energy: -23.888
Base-Backbone interact. energy: 3.287
local terms energy: -58.298759
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: 2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -298.701663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.701663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.701663 (E_RNA)
where:
Base-Base interactions energy: -193.676
where: short stacking energy: -91.641
Base-Backbone interact. energy: -0.594
local terms energy: -104.431514
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -25.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -293.619037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.619037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.619037 (E_RNA)
where:
Base-Base interactions energy: -195.364
where: short stacking energy: -72.546
Base-Backbone interact. energy: -0.404
local terms energy: -97.851667
where:
bonds (distance) C4'-P energy: -21.180
bonds (distance) P-C4' energy: -19.609
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -25.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -291.992774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.992774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.992774 (E_RNA)
where:
Base-Base interactions energy: -190.646
where: short stacking energy: -88.496
Base-Backbone interact. energy: -0.005
local terms energy: -101.342321
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -30.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -242.221025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.221025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.221025 (E_RNA)
where:
Base-Base interactions energy: -162.731
where: short stacking energy: -77.103
Base-Backbone interact. energy: -0.799
local terms energy: -78.690492
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -17.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -272.761590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.761590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.761590 (E_RNA)
where:
Base-Base interactions energy: -184.880
where: short stacking energy: -79.921
Base-Backbone interact. energy: -1.055
local terms energy: -86.826209
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -20.074
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -23.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -219.706201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.706201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.706201 (E_RNA)
where:
Base-Base interactions energy: -141.864
where: short stacking energy: -60.520
Base-Backbone interact. energy: -0.013
local terms energy: -77.829367
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -13.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -224.280428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.280428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.280428 (E_RNA)
where:
Base-Base interactions energy: -153.203
where: short stacking energy: -66.990
Base-Backbone interact. energy: -0.109
local terms energy: -70.967881
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: -15.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -101.757116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.757116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.757116 (E_RNA)
where:
Base-Base interactions energy: -37.685
where: short stacking energy: -36.084
Base-Backbone interact. energy: 0.722
local terms energy: -64.793530
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -8.476
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: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -99.158612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.158612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.158612 (E_RNA)
where:
Base-Base interactions energy: -47.786
where: short stacking energy: -39.671
Base-Backbone interact. energy: -1.125
local terms energy: -50.247903
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -9.803
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -3.089
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: 3
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -89.952803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.952803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.952803 (E_RNA)
where:
Base-Base interactions energy: -28.549
where: short stacking energy: -17.546
Base-Backbone interact. energy: -0.201
local terms energy: -61.202790
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -4.439
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: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -292.362978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.362978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.362978 (E_RNA)
where:
Base-Base interactions energy: -204.554
where: short stacking energy: -81.233
Base-Backbone interact. energy: -0.030
local terms energy: -87.779516
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -27.852
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: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -291.431144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.431144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.431144 (E_RNA)
where:
Base-Base interactions energy: -203.366
where: short stacking energy: -83.964
Base-Backbone interact. energy: -0.139
local terms energy: -87.926204
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -22.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -285.008884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.008884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.008884 (E_RNA)
where:
Base-Base interactions energy: -184.115
where: short stacking energy: -87.993
Base-Backbone interact. energy: -0.021
local terms energy: -100.873627
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -21.371
flat angles C4'-P-C4' energy: -21.589
flat angles P-C4'-P energy: -13.420
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: 4, replica: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -228.034581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.034581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.034581 (E_RNA)
where:
Base-Base interactions energy: -142.282
where: short stacking energy: -62.108
Base-Backbone interact. energy: -0.180
local terms energy: -85.573229
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -17.083
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: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -274.381042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.381042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.381042 (E_RNA)
where:
Base-Base interactions energy: -176.071
where: short stacking energy: -83.008
Base-Backbone interact. energy: -0.037
local terms energy: -98.272998
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -25.374
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: 6, replica: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -226.213940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.213940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.213940 (E_RNA)
where:
Base-Base interactions energy: -148.532
where: short stacking energy: -65.753
Base-Backbone interact. energy: -0.086
local terms energy: -77.595444
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -20.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -211.979763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.979763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.979763 (E_RNA)
where:
Base-Base interactions energy: -132.577
where: short stacking energy: -61.353
Base-Backbone interact. energy: -0.153
local terms energy: -79.249204
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -96.578816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.578816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.578816 (E_RNA)
where:
Base-Base interactions energy: -34.178
where: short stacking energy: -28.394
Base-Backbone interact. energy: 0.647
local terms energy: -63.047794
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -93.502288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.502288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.502288 (E_RNA)
where:
Base-Base interactions energy: -33.323
where: short stacking energy: -29.011
Base-Backbone interact. energy: -0.223
local terms energy: -59.955820
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -4.127
tors. eta vs tors. theta energy: -2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -88.842267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.842267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.842267 (E_RNA)
where:
Base-Base interactions energy: -29.640
where: short stacking energy: -29.456
Base-Backbone interact. energy: -0.247
local terms energy: -58.954943
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -3.272
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: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -288.648065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.648065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.648065 (E_RNA)
where:
Base-Base interactions energy: -195.571
where: short stacking energy: -75.891
Base-Backbone interact. energy: -0.115
local terms energy: -92.962715
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -26.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -290.757663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.757663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.757663 (E_RNA)
where:
Base-Base interactions energy: -201.362
where: short stacking energy: -87.446
Base-Backbone interact. energy: -0.047
local terms energy: -89.348652
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -19.913
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -26.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -292.096062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.096062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.096062 (E_RNA)
where:
Base-Base interactions energy: -198.725
where: short stacking energy: -82.794
Base-Backbone interact. energy: -0.051
local terms energy: -93.319961
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -20.029
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -23.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -271.133900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.133900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.133900 (E_RNA)
where:
Base-Base interactions energy: -176.147
where: short stacking energy: -76.616
Base-Backbone interact. energy: -0.486
local terms energy: -94.499933
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -23.534
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: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -228.313757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.313757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.313757 (E_RNA)
where:
Base-Base interactions energy: -140.334
where: short stacking energy: -64.726
Base-Backbone interact. energy: -0.992
local terms energy: -86.987902
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -214.522834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.522834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.522834 (E_RNA)
where:
Base-Base interactions energy: -140.621
where: short stacking energy: -63.183
Base-Backbone interact. energy: 1.818
local terms energy: -75.720138
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -17.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -210.680081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.680081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.680081 (E_RNA)
where:
Base-Base interactions energy: -136.735
where: short stacking energy: -56.783
Base-Backbone interact. energy: -0.432
local terms energy: -73.512448
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -14.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -97.470209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.470209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.470209 (E_RNA)
where:
Base-Base interactions energy: -48.673
where: short stacking energy: -32.907
Base-Backbone interact. energy: -0.333
local terms energy: -48.463368
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -9.156
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -88.068557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.068557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.068557 (E_RNA)
where:
Base-Base interactions energy: -23.229
where: short stacking energy: -18.578
Base-Backbone interact. energy: -0.157
local terms energy: -64.682325
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -85.430628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.430628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.430628 (E_RNA)
where:
Base-Base interactions energy: -33.004
where: short stacking energy: -22.671
Base-Backbone interact. energy: -0.257
local terms energy: -52.169860
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -0.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -289.570300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.570300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.570300 (E_RNA)
where:
Base-Base interactions energy: -199.826
where: short stacking energy: -79.465
Base-Backbone interact. energy: 3.518
local terms energy: -93.262323
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -286.047523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.047523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.047523 (E_RNA)
where:
Base-Base interactions energy: -197.060
where: short stacking energy: -71.858
Base-Backbone interact. energy: 0.933
local terms energy: -89.920807
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -264.697345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.697345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.697345 (E_RNA)
where:
Base-Base interactions energy: -174.079
where: short stacking energy: -82.533
Base-Backbone interact. energy: -0.083
local terms energy: -90.535704
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -19.261
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -15.911
tors. eta vs tors. theta energy: -20.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -258.270088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.270088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.270088 (E_RNA)
where:
Base-Base interactions energy: -175.750
where: short stacking energy: -72.152
Base-Backbone interact. energy: -0.132
local terms energy: -82.388651
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -18.097
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: 80
Temperature: 1.100000
Total energy: -234.746173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.746173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.746173 (E_RNA)
where:
Base-Base interactions energy: -151.486
where: short stacking energy: -62.511
Base-Backbone interact. energy: -0.313
local terms energy: -82.946810
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -20.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -216.508010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.508010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.508010 (E_RNA)
where:
Base-Base interactions energy: -138.428
where: short stacking energy: -60.220
Base-Backbone interact. energy: 0.171
local terms energy: -78.250783
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -11.263
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -20.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -210.330071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.330071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.330071 (E_RNA)
where:
Base-Base interactions energy: -135.620
where: short stacking energy: -54.827
Base-Backbone interact. energy: -0.151
local terms energy: -74.559112
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -11.115
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: 8, replica: 3
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -97.869207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.869207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.869207 (E_RNA)
where:
Base-Base interactions energy: -40.117
where: short stacking energy: -25.037
Base-Backbone interact. energy: -0.122
local terms energy: -57.629865
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -2.222
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: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -96.181420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.181420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.181420 (E_RNA)
where:
Base-Base interactions energy: -38.883
where: short stacking energy: -33.672
Base-Backbone interact. energy: 0.012
local terms energy: -57.310854
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -1.075
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: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -89.485208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.485208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.485208 (E_RNA)
where:
Base-Base interactions energy: -30.872
where: short stacking energy: -30.872
Base-Backbone interact. energy: -0.240
local terms energy: -58.373221
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -19.734
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -297.766372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.766372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.766372 (E_RNA)
where:
Base-Base interactions energy: -200.393
where: short stacking energy: -80.305
Base-Backbone interact. energy: -0.911
local terms energy: -96.462391
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -20.962
flat angles P-C4'-P energy: -15.073
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: 2, replica: 9
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -285.503468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.503468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.503468 (E_RNA)
where:
Base-Base interactions energy: -190.717
where: short stacking energy: -69.584
Base-Backbone interact. energy: -0.154
local terms energy: -94.632395
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -21.062
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -282.117850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.117850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.117850 (E_RNA)
where:
Base-Base interactions energy: -186.419
where: short stacking energy: -79.549
Base-Backbone interact. energy: -0.241
local terms energy: -95.457887
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -22.534
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -25.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -225.826520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.826520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.826520 (E_RNA)
where:
Base-Base interactions energy: -142.979
where: short stacking energy: -47.090
Base-Backbone interact. energy: -0.036
local terms energy: -82.811897
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -14.318
tors. eta vs tors. theta energy: -14.108
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: 81
Temperature: 1.100000
Total energy: -256.697111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.697111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.697111 (E_RNA)
where:
Base-Base interactions energy: -179.126
where: short stacking energy: -80.422
Base-Backbone interact. energy: -0.102
local terms energy: -77.469081
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -24.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -216.978269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.978269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.978269 (E_RNA)
where:
Base-Base interactions energy: -140.741
where: short stacking energy: -59.431
Base-Backbone interact. energy: -0.206
local terms energy: -76.031936
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -210.423021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.423021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.423021 (E_RNA)
where:
Base-Base interactions energy: -130.049
where: short stacking energy: -55.482
Base-Backbone interact. energy: -0.127
local terms energy: -80.247035
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -110.425236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.425236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.425236 (E_RNA)
where:
Base-Base interactions energy: -52.905
where: short stacking energy: -34.020
Base-Backbone interact. energy: -0.197
local terms energy: -57.323186
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -106.948764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.948764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.948764 (E_RNA)
where:
Base-Base interactions energy: -57.142
where: short stacking energy: -36.762
Base-Backbone interact. energy: -0.143
local terms energy: -49.663668
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -0.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -91.219470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.219470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.219470 (E_RNA)
where:
Base-Base interactions energy: -30.604
where: short stacking energy: -16.390
Base-Backbone interact. energy: -0.210
local terms energy: -60.405407
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: 3.154
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: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -282.266510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.266510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.266510 (E_RNA)
where:
Base-Base interactions energy: -200.156
where: short stacking energy: -77.807
Base-Backbone interact. energy: 2.047
local terms energy: -84.158191
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -20.225
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -24.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -298.799337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.799337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.799337 (E_RNA)
where:
Base-Base interactions energy: -207.549
where: short stacking energy: -84.610
Base-Backbone interact. energy: 0.932
local terms energy: -92.182040
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -19.601
flat angles P-C4'-P energy: -11.630
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: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -280.921278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.921278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.921278 (E_RNA)
where:
Base-Base interactions energy: -187.100
where: short stacking energy: -71.080
Base-Backbone interact. energy: -0.110
local terms energy: -93.711048
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -23.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -220.436138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.436138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.436138 (E_RNA)
where:
Base-Base interactions energy: -135.728
where: short stacking energy: -60.126
Base-Backbone interact. energy: -0.062
local terms energy: -84.645664
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -272.720176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.720176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.720176 (E_RNA)
where:
Base-Base interactions energy: -179.016
where: short stacking energy: -80.758
Base-Backbone interact. energy: -0.464
local terms energy: -93.240105
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -20.618
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -25.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -214.981347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.981347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.981347 (E_RNA)
where:
Base-Base interactions energy: -136.312
where: short stacking energy: -60.718
Base-Backbone interact. energy: -0.292
local terms energy: -78.377425
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -19.875
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -12.817
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: 7, replica: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -219.255304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.255304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.255304 (E_RNA)
where:
Base-Base interactions energy: -139.560
where: short stacking energy: -64.495
Base-Backbone interact. energy: -0.111
local terms energy: -79.583960
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -15.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -91.812762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.812762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.812762 (E_RNA)
where:
Base-Base interactions energy: -37.126
where: short stacking energy: -22.516
Base-Backbone interact. energy: -0.218
local terms energy: -54.469428
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -91.835847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.835847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.835847 (E_RNA)
where:
Base-Base interactions energy: -35.158
where: short stacking energy: -26.756
Base-Backbone interact. energy: -0.080
local terms energy: -56.597523
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -19.338
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: 0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -81.742959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.742959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.742959 (E_RNA)
where:
Base-Base interactions energy: -28.613
where: short stacking energy: -23.620
Base-Backbone interact. energy: -0.237
local terms energy: -52.892480
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: 0.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -283.761567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.761567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.761567 (E_RNA)
where:
Base-Base interactions energy: -194.038
where: short stacking energy: -80.080
Base-Backbone interact. energy: 0.642
local terms energy: -90.365546
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -18.711
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -12.457
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: 2, replica: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -294.148789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.148789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.148789 (E_RNA)
where:
Base-Base interactions energy: -202.581
where: short stacking energy: -81.605
Base-Backbone interact. energy: -0.022
local terms energy: -91.546001
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -23.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -274.279981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.279981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.279981 (E_RNA)
where:
Base-Base interactions energy: -185.456
where: short stacking energy: -82.695
Base-Backbone interact. energy: 0.132
local terms energy: -88.956673
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -22.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -277.212519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.212519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.212519 (E_RNA)
where:
Base-Base interactions energy: -178.736
where: short stacking energy: -86.324
Base-Backbone interact. energy: -0.380
local terms energy: -98.097174
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -25.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -227.237812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.237812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.237812 (E_RNA)
where:
Base-Base interactions energy: -142.072
where: short stacking energy: -68.206
Base-Backbone interact. energy: -0.169
local terms energy: -84.996762
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -22.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -228.458192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.458192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.458192 (E_RNA)
where:
Base-Base interactions energy: -152.580
where: short stacking energy: -69.510
Base-Backbone interact. energy: -0.007
local terms energy: -75.871853
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -20.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -203.740672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.740672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.740672 (E_RNA)
where:
Base-Base interactions energy: -126.327
where: short stacking energy: -49.041
Base-Backbone interact. energy: 2.183
local terms energy: -79.596729
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -14.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -102.435811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.435811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.435811 (E_RNA)
where:
Base-Base interactions energy: -51.661
where: short stacking energy: -27.050
Base-Backbone interact. energy: -0.299
local terms energy: -50.476002
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -18.596
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -91.065024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.065024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.065024 (E_RNA)
where:
Base-Base interactions energy: -30.837
where: short stacking energy: -26.304
Base-Backbone interact. energy: -0.005
local terms energy: -60.222976
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -20.083
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -6.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -103.693432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.693432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.693432 (E_RNA)
where:
Base-Base interactions energy: -40.071
where: short stacking energy: -36.856
Base-Backbone interact. energy: -0.106
local terms energy: -63.515730
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -8.964
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: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -299.619120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.619120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.619120 (E_RNA)
where:
Base-Base interactions energy: -206.768
where: short stacking energy: -88.587
Base-Backbone interact. energy: -0.046
local terms energy: -92.804797
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -23.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -282.187935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.187935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.187935 (E_RNA)
where:
Base-Base interactions energy: -194.980
where: short stacking energy: -71.362
Base-Backbone interact. energy: 1.241
local terms energy: -88.449904
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -20.863
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: 3, replica: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -288.826485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.826485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.826485 (E_RNA)
where:
Base-Base interactions energy: -201.657
where: short stacking energy: -83.374
Base-Backbone interact. energy: 0.456
local terms energy: -87.624984
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -24.439
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: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -276.984062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.984062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.984062 (E_RNA)
where:
Base-Base interactions energy: -178.931
where: short stacking energy: -83.474
Base-Backbone interact. energy: -0.024
local terms energy: -98.029219
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -19.357
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -14.549
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: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -228.933208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.933208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.933208 (E_RNA)
where:
Base-Base interactions energy: -149.865
where: short stacking energy: -67.035
Base-Backbone interact. energy: -0.209
local terms energy: -78.859227
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -16.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -249.245882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.245882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.245882 (E_RNA)
where:
Base-Base interactions energy: -164.094
where: short stacking energy: -89.066
Base-Backbone interact. energy: -0.233
local terms energy: -84.918494
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -20.218
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -24.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -212.092281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.092281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.092281 (E_RNA)
where:
Base-Base interactions energy: -135.577
where: short stacking energy: -60.126
Base-Backbone interact. energy: -0.657
local terms energy: -75.858928
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -15.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -93.988226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.988226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.988226 (E_RNA)
where:
Base-Base interactions energy: -48.827
where: short stacking energy: -24.151
Base-Backbone interact. energy: -0.461
local terms energy: -44.700401
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -8.194
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: 0.362
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: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -99.583742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.583742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.583742 (E_RNA)
where:
Base-Base interactions energy: -54.190
where: short stacking energy: -34.018
Base-Backbone interact. energy: -0.451
local terms energy: -44.942961
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -9.429
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: 4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -93.787876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.787876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.787876 (E_RNA)
where:
Base-Base interactions energy: -44.349
where: short stacking energy: -24.030
Base-Backbone interact. energy: -1.193
local terms energy: -48.246097
where:
bonds (distance) C4'-P energy: -9.252
bonds (distance) P-C4' energy: -19.602
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -6.112
tors. eta vs tors. theta energy: 2.451
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: 1, replica: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -295.471423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.471423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.471423 (E_RNA)
where:
Base-Base interactions energy: -202.269
where: short stacking energy: -82.397
Base-Backbone interact. energy: 0.242
local terms energy: -93.444608
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -25.560
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: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -286.128295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.128295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.128295 (E_RNA)
where:
Base-Base interactions energy: -195.305
where: short stacking energy: -76.324
Base-Backbone interact. energy: 1.119
local terms energy: -91.942203
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -19.615
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -23.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -277.046145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.046145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.046145 (E_RNA)
where:
Base-Base interactions energy: -181.688
where: short stacking energy: -87.485
Base-Backbone interact. energy: -0.007
local terms energy: -95.350948
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -26.936
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: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -266.886720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.886720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.886720 (E_RNA)
where:
Base-Base interactions energy: -176.235
where: short stacking energy: -81.614
Base-Backbone interact. energy: -0.043
local terms energy: -90.609163
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -20.620
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -25.491
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: 85
Temperature: 1.100000
Total energy: -237.247124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.247124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.247124 (E_RNA)
where:
Base-Base interactions energy: -165.968
where: short stacking energy: -71.894
Base-Backbone interact. energy: 0.207
local terms energy: -71.485698
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -16.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -217.890969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.890969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.890969 (E_RNA)
where:
Base-Base interactions energy: -133.305
where: short stacking energy: -56.605
Base-Backbone interact. energy: -0.281
local terms energy: -84.305498
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -15.407
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: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -208.583041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.583041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.583041 (E_RNA)
where:
Base-Base interactions energy: -138.404
where: short stacking energy: -64.783
Base-Backbone interact. energy: -0.039
local terms energy: -70.140310
where:
bonds (distance) C4'-P energy: -8.539
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -107.180500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.180500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.180500 (E_RNA)
where:
Base-Base interactions energy: -35.121
where: short stacking energy: -35.121
Base-Backbone interact. energy: -0.185
local terms energy: -71.874253
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -87.024551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.024551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.024551 (E_RNA)
where:
Base-Base interactions energy: -23.912
where: short stacking energy: -24.112
Base-Backbone interact. energy: -0.029
local terms energy: -63.083824
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -1.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -97.398617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.398617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.398617 (E_RNA)
where:
Base-Base interactions energy: -41.594
where: short stacking energy: -33.189
Base-Backbone interact. energy: 0.985
local terms energy: -56.789977
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -293.998204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.998204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.998204 (E_RNA)
where:
Base-Base interactions energy: -204.200
where: short stacking energy: -82.534
Base-Backbone interact. energy: -0.195
local terms energy: -89.603352
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -4.592
tors. eta vs tors. theta energy: -26.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -287.868226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.868226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.868226 (E_RNA)
where:
Base-Base interactions energy: -191.872
where: short stacking energy: -77.105
Base-Backbone interact. energy: -1.082
local terms energy: -94.914302
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -22.257
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: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -273.780403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.780403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.780403 (E_RNA)
where:
Base-Base interactions energy: -184.708
where: short stacking energy: -82.453
Base-Backbone interact. energy: -0.001
local terms energy: -89.072055
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -23.138
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: 4, replica: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -273.747532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.747532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.747532 (E_RNA)
where:
Base-Base interactions energy: -186.629
where: short stacking energy: -73.137
Base-Backbone interact. energy: -0.227
local terms energy: -86.891058
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -19.348
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: -25.910
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: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -211.190061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.190061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.190061 (E_RNA)
where:
Base-Base interactions energy: -133.118
where: short stacking energy: -51.215
Base-Backbone interact. energy: -0.119
local terms energy: -77.952338
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -12.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -221.569948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.569948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.569948 (E_RNA)
where:
Base-Base interactions energy: -147.330
where: short stacking energy: -72.881
Base-Backbone interact. energy: -0.095
local terms energy: -74.144763
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -17.866
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: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -211.146971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.146971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.146971 (E_RNA)
where:
Base-Base interactions energy: -130.363
where: short stacking energy: -60.078
Base-Backbone interact. energy: -0.172
local terms energy: -80.611436
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -16.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -102.441986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.441986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.441986 (E_RNA)
where:
Base-Base interactions energy: -35.898
where: short stacking energy: -34.862
Base-Backbone interact. energy: 0.299
local terms energy: -66.842233
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -8.949
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: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -112.462934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.462934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.462934 (E_RNA)
where:
Base-Base interactions energy: -51.977
where: short stacking energy: -32.324
Base-Backbone interact. energy: -0.930
local terms energy: -59.555658
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -83.116745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116745 (E_RNA)
where:
Base-Base interactions energy: -34.081
where: short stacking energy: -16.408
Base-Backbone interact. energy: -2.096
local terms energy: -46.939105
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -4.598
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: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -291.681839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.681839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.681839 (E_RNA)
where:
Base-Base interactions energy: -204.654
where: short stacking energy: -81.615
Base-Backbone interact. energy: 0.318
local terms energy: -87.346105
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -24.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -290.163982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.163982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.163982 (E_RNA)
where:
Base-Base interactions energy: -200.391
where: short stacking energy: -84.585
Base-Backbone interact. energy: -0.110
local terms energy: -89.662769
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -18.599
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -18.575
tors. eta vs tors. theta energy: -23.124
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: 3, replica: 7
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -290.603762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.603762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.603762 (E_RNA)
where:
Base-Base interactions energy: -192.470
where: short stacking energy: -78.629
Base-Backbone interact. energy: -0.022
local terms energy: -98.111387
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -21.733
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -24.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -271.944475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.944475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.944475 (E_RNA)
where:
Base-Base interactions energy: -183.117
where: short stacking energy: -86.646
Base-Backbone interact. energy: -0.063
local terms energy: -88.764767
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -25.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -224.351454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.351454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.351454 (E_RNA)
where:
Base-Base interactions energy: -141.844
where: short stacking energy: -62.140
Base-Backbone interact. energy: -0.084
local terms energy: -82.423598
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -16.836
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: 6, replica: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -192.731900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.731900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.731900 (E_RNA)
where:
Base-Base interactions energy: -122.657
where: short stacking energy: -54.734
Base-Backbone interact. energy: 1.366
local terms energy: -71.440867
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -215.576928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.576928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.576928 (E_RNA)
where:
Base-Base interactions energy: -150.299
where: short stacking energy: -64.620
Base-Backbone interact. energy: -0.025
local terms energy: -65.252725
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -94.982768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.982768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.982768 (E_RNA)
where:
Base-Base interactions energy: -33.977
where: short stacking energy: -33.966
Base-Backbone interact. energy: -0.323
local terms energy: -60.682686
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -20.596
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -5.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -89.765768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.765768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.765768 (E_RNA)
where:
Base-Base interactions energy: -37.649
where: short stacking energy: -31.862
Base-Backbone interact. energy: -0.139
local terms energy: -51.977356
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -3.022
tors. eta vs tors. theta energy: -2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -86.645828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.645828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.645828 (E_RNA)
where:
Base-Base interactions energy: -21.658
where: short stacking energy: -17.192
Base-Backbone interact. energy: -0.611
local terms energy: -64.377659
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -4.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -298.441368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.441368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.441368 (E_RNA)
where:
Base-Base interactions energy: -203.621
where: short stacking energy: -87.642
Base-Backbone interact. energy: -0.231
local terms energy: -94.589294
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -23.414
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: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -277.520777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.520777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.520777 (E_RNA)
where:
Base-Base interactions energy: -187.852
where: short stacking energy: -67.782
Base-Backbone interact. energy: -0.851
local terms energy: -88.817852
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -13.170
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: 3, replica: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -285.267789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.267789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.267789 (E_RNA)
where:
Base-Base interactions energy: -185.957
where: short stacking energy: -86.059
Base-Backbone interact. energy: -0.011
local terms energy: -99.299149
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -21.612
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -25.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -277.700432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.700432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.700432 (E_RNA)
where:
Base-Base interactions energy: -182.189
where: short stacking energy: -83.169
Base-Backbone interact. energy: -0.018
local terms energy: -95.493085
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -27.246
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: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -222.894645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.894645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.894645 (E_RNA)
where:
Base-Base interactions energy: -140.896
where: short stacking energy: -60.561
Base-Backbone interact. energy: -0.179
local terms energy: -81.820099
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -17.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -212.033810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.033810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.033810 (E_RNA)
where:
Base-Base interactions energy: -144.971
where: short stacking energy: -66.217
Base-Backbone interact. energy: -0.526
local terms energy: -66.536542
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -12.519
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: 7, replica: 1
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -209.501881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.501881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.501881 (E_RNA)
where:
Base-Base interactions energy: -139.246
where: short stacking energy: -52.639
Base-Backbone interact. energy: 2.677
local terms energy: -72.933201
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -16.607
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: 8, replica: 6
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -96.538994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.538994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.538994 (E_RNA)
where:
Base-Base interactions energy: -36.563
where: short stacking energy: -34.573
Base-Backbone interact. energy: 0.645
local terms energy: -60.620577
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -100.656259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.656259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.656259 (E_RNA)
where:
Base-Base interactions energy: -35.447
where: short stacking energy: -30.598
Base-Backbone interact. energy: -0.335
local terms energy: -64.874754
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -12.164
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: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -83.735838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.735838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.735838 (E_RNA)
where:
Base-Base interactions energy: -28.026
where: short stacking energy: -28.026
Base-Backbone interact. energy: -0.293
local terms energy: -55.417057
where:
bonds (distance) C4'-P energy: -9.162
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -296.904610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.904610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.904610 (E_RNA)
where:
Base-Base interactions energy: -202.975
where: short stacking energy: -87.806
Base-Backbone interact. energy: -0.140
local terms energy: -93.789687
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -13.159
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: 2, replica: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -288.228504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.228504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.228504 (E_RNA)
where:
Base-Base interactions energy: -190.275
where: short stacking energy: -88.796
Base-Backbone interact. energy: -0.004
local terms energy: -97.949352
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -28.875
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: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -279.800462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.800462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.800462 (E_RNA)
where:
Base-Base interactions energy: -196.984
where: short stacking energy: -77.164
Base-Backbone interact. energy: 0.133
local terms energy: -82.950202
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -26.085
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: 89
Temperature: 1.050000
Total energy: -271.002963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.002963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.002963 (E_RNA)
where:
Base-Base interactions energy: -177.471
where: short stacking energy: -78.463
Base-Backbone interact. energy: -0.047
local terms energy: -93.485290
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -20.168
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -22.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -211.866208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.866208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.866208 (E_RNA)
where:
Base-Base interactions energy: -126.400
where: short stacking energy: -59.512
Base-Backbone interact. energy: -0.137
local terms energy: -85.329142
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -16.129
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: 89
Temperature: 1.150000
Total energy: -220.137282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.137282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.137282 (E_RNA)
where:
Base-Base interactions energy: -153.337
where: short stacking energy: -66.496
Base-Backbone interact. energy: -0.590
local terms energy: -66.210261
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -13.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -209.599942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.599942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.599942 (E_RNA)
where:
Base-Base interactions energy: -134.742
where: short stacking energy: -57.220
Base-Backbone interact. energy: -0.045
local terms energy: -74.812218
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -14.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -94.143362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.143362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.143362 (E_RNA)
where:
Base-Base interactions energy: -41.897
where: short stacking energy: -39.876
Base-Backbone interact. energy: -0.526
local terms energy: -51.720445
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -2.483
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: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -94.197997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.197997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.197997 (E_RNA)
where:
Base-Base interactions energy: -43.288
where: short stacking energy: -21.051
Base-Backbone interact. energy: -0.040
local terms energy: -50.870020
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: 3.566
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: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -83.110824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.110824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.110824 (E_RNA)
where:
Base-Base interactions energy: -21.604
where: short stacking energy: -16.367
Base-Backbone interact. energy: -0.147
local terms energy: -61.359483
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -7.878
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -286.859287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.859287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.859287 (E_RNA)
where:
Base-Base interactions energy: -190.273
where: short stacking energy: -90.281
Base-Backbone interact. energy: -0.096
local terms energy: -96.490005
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -29.334
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: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -293.127741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.127741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.127741 (E_RNA)
where:
Base-Base interactions energy: -199.134
where: short stacking energy: -80.313
Base-Backbone interact. energy: -0.059
local terms energy: -93.934554
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -25.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -282.497030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.497030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.497030 (E_RNA)
where:
Base-Base interactions energy: -197.152
where: short stacking energy: -77.007
Base-Backbone interact. energy: -0.166
local terms energy: -85.178763
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -267.425408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.425408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.425408 (E_RNA)
where:
Base-Base interactions energy: -183.903
where: short stacking energy: -72.911
Base-Backbone interact. energy: -0.785
local terms energy: -82.737529
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -13.955
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: 5, replica: 1
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -220.271498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.271498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.271498 (E_RNA)
where:
Base-Base interactions energy: -138.837
where: short stacking energy: -62.205
Base-Backbone interact. energy: 1.478
local terms energy: -82.912709
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -12.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -221.052699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.052699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.052699 (E_RNA)
where:
Base-Base interactions energy: -152.045
where: short stacking energy: -74.234
Base-Backbone interact. energy: -0.007
local terms energy: -69.000057
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -9.052
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -19.892
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: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -192.833089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.833089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.833089 (E_RNA)
where:
Base-Base interactions energy: -121.745
where: short stacking energy: -53.136
Base-Backbone interact. energy: -0.748
local terms energy: -70.340412
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -10.728
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: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -103.658570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.658570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.658570 (E_RNA)
where:
Base-Base interactions energy: -43.851
where: short stacking energy: -35.228
Base-Backbone interact. energy: -0.305
local terms energy: -59.502183
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -97.704394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.704394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.704394 (E_RNA)
where:
Base-Base interactions energy: -44.033
where: short stacking energy: -36.047
Base-Backbone interact. energy: -0.459
local terms energy: -53.213369
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -5.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -106.205579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.205579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.205579 (E_RNA)
where:
Base-Base interactions energy: -43.709
where: short stacking energy: -40.975
Base-Backbone interact. energy: -0.041
local terms energy: -62.455243
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -291.195076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.195076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.195076 (E_RNA)
where:
Base-Base interactions energy: -198.424
where: short stacking energy: -89.402
Base-Backbone interact. energy: -0.275
local terms energy: -92.495685
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -18.596
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -27.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -285.066540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.066540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.066540 (E_RNA)
where:
Base-Base interactions energy: -201.440
where: short stacking energy: -84.298
Base-Backbone interact. energy: -0.082
local terms energy: -83.544521
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -22.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -280.454882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.454882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.454882 (E_RNA)
where:
Base-Base interactions energy: -188.536
where: short stacking energy: -74.523
Base-Backbone interact. energy: -0.174
local terms energy: -91.744457
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -24.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -274.596262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.596262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.596262 (E_RNA)
where:
Base-Base interactions energy: -182.137
where: short stacking energy: -83.177
Base-Backbone interact. energy: -0.071
local terms energy: -92.388564
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -19.325
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -25.917
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: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -217.627800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.627800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.627800 (E_RNA)
where:
Base-Base interactions energy: -143.945
where: short stacking energy: -67.254
Base-Backbone interact. energy: -0.026
local terms energy: -73.656882
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -13.788
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: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -219.230927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.230927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.230927 (E_RNA)
where:
Base-Base interactions energy: -143.851
where: short stacking energy: -65.144
Base-Backbone interact. energy: -0.302
local terms energy: -75.078548
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -14.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -197.060969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.060969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.060969 (E_RNA)
where:
Base-Base interactions energy: -124.535
where: short stacking energy: -45.829
Base-Backbone interact. energy: -1.602
local terms energy: -70.923823
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -10.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -161.902204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.902204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.902204 (E_RNA)
where:
Base-Base interactions energy: -83.896
where: short stacking energy: -52.375
Base-Backbone interact. energy: -0.103
local terms energy: -77.902980
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -15.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -90.715864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.715864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.715864 (E_RNA)
where:
Base-Base interactions energy: -30.698
where: short stacking energy: -30.698
Base-Backbone interact. energy: -0.093
local terms energy: -59.924933
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -102.294968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.294968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.294968 (E_RNA)
where:
Base-Base interactions energy: -39.268
where: short stacking energy: -36.394
Base-Backbone interact. energy: -0.089
local terms energy: -62.937233
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -13.095
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: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -309.917486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.917486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.917486 (E_RNA)
where:
Base-Base interactions energy: -208.587
where: short stacking energy: -87.743
Base-Backbone interact. energy: -0.106
local terms energy: -101.224123
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -25.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -288.533319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.533319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.533319 (E_RNA)
where:
Base-Base interactions energy: -192.881
where: short stacking energy: -77.323
Base-Backbone interact. energy: -0.081
local terms energy: -95.571208
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -21.313
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -23.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -287.373905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.373905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.373905 (E_RNA)
where:
Base-Base interactions energy: -194.529
where: short stacking energy: -75.653
Base-Backbone interact. energy: -0.141
local terms energy: -92.704009
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -21.895
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -25.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -275.776596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.776596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.776596 (E_RNA)
where:
Base-Base interactions energy: -191.516
where: short stacking energy: -75.362
Base-Backbone interact. energy: -0.091
local terms energy: -84.169573
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -20.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -216.019550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.019550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.019550 (E_RNA)
where:
Base-Base interactions energy: -136.303
where: short stacking energy: -60.534
Base-Backbone interact. energy: -0.130
local terms energy: -79.586354
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -19.265
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -17.138
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: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -200.549402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.549402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.549402 (E_RNA)
where:
Base-Base interactions energy: -132.581
where: short stacking energy: -55.456
Base-Backbone interact. energy: -0.546
local terms energy: -67.422340
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -11.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -203.607699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.607699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.607699 (E_RNA)
where:
Base-Base interactions energy: -133.533
where: short stacking energy: -54.440
Base-Backbone interact. energy: -0.001
local terms energy: -70.073989
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -149.687076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.687076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.687076 (E_RNA)
where:
Base-Base interactions energy: -96.864
where: short stacking energy: -47.412
Base-Backbone interact. energy: 0.174
local terms energy: -52.996739
where:
bonds (distance) C4'-P energy: -5.126
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -8.846
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: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -98.206778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.206778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.206778 (E_RNA)
where:
Base-Base interactions energy: -34.936
where: short stacking energy: -23.151
Base-Backbone interact. energy: -0.246
local terms energy: -63.024428
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -0.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -79.360323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.360323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.360323 (E_RNA)
where:
Base-Base interactions energy: -25.547
where: short stacking energy: -25.547
Base-Backbone interact. energy: 0.030
local terms energy: -53.843485
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: 5.422
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: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -296.365543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.365543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.365543 (E_RNA)
where:
Base-Base interactions energy: -205.907
where: short stacking energy: -82.289
Base-Backbone interact. energy: -0.008
local terms energy: -90.450851
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -22.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -285.090548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.090548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.090548 (E_RNA)
where:
Base-Base interactions energy: -187.401
where: short stacking energy: -79.787
Base-Backbone interact. energy: -0.002
local terms energy: -97.688263
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -27.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -277.693249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.693249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.693249 (E_RNA)
where:
Base-Base interactions energy: -193.036
where: short stacking energy: -75.146
Base-Backbone interact. energy: 0.771
local terms energy: -85.428097
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -20.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -279.708943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.708943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.708943 (E_RNA)
where:
Base-Base interactions energy: -187.069
where: short stacking energy: -87.967
Base-Backbone interact. energy: -0.034
local terms energy: -92.606347
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -21.506
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -23.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -228.513907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.513907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.513907 (E_RNA)
where:
Base-Base interactions energy: -144.478
where: short stacking energy: -64.066
Base-Backbone interact. energy: -1.213
local terms energy: -82.822827
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -17.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -218.541079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.541079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.541079 (E_RNA)
where:
Base-Base interactions energy: -135.017
where: short stacking energy: -61.529
Base-Backbone interact. energy: -0.200
local terms energy: -83.324369
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -11.567
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: 7, replica: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -186.879014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.879014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.879014 (E_RNA)
where:
Base-Base interactions energy: -122.534
where: short stacking energy: -50.296
Base-Backbone interact. energy: -0.126
local terms energy: -64.219485
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -6.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -159.499886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.499886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.499886 (E_RNA)
where:
Base-Base interactions energy: -99.507
where: short stacking energy: -47.572
Base-Backbone interact. energy: 1.347
local terms energy: -61.340154
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -98.569115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.569115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.569115 (E_RNA)
where:
Base-Base interactions energy: -30.339
where: short stacking energy: -26.241
Base-Backbone interact. energy: -0.055
local terms energy: -68.175493
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -96.981629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.981629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.981629 (E_RNA)
where:
Base-Base interactions energy: -43.028
where: short stacking energy: -39.094
Base-Backbone interact. energy: -0.299
local terms energy: -53.654608
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -1.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -297.954265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.954265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.954265 (E_RNA)
where:
Base-Base interactions energy: -203.013
where: short stacking energy: -82.284
Base-Backbone interact. energy: -0.233
local terms energy: -94.709141
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -25.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -291.921620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.921620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.921620 (E_RNA)
where:
Base-Base interactions energy: -191.081
where: short stacking energy: -82.600
Base-Backbone interact. energy: -0.005
local terms energy: -100.835021
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -26.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -275.168779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.168779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.168779 (E_RNA)
where:
Base-Base interactions energy: -184.159
where: short stacking energy: -86.165
Base-Backbone interact. energy: -0.012
local terms energy: -90.996951
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -16.038
tors. eta vs tors. theta energy: -21.693
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: 4, replica: 9
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -266.965697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.965697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.965697 (E_RNA)
where:
Base-Base interactions energy: -184.319
where: short stacking energy: -69.300
Base-Backbone interact. energy: 0.426
local terms energy: -83.072646
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -19.811
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: 8
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -220.889980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.889980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.889980 (E_RNA)
where:
Base-Base interactions energy: -146.327
where: short stacking energy: -65.523
Base-Backbone interact. energy: -0.120
local terms energy: -74.443420
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -16.246
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: 6, replica: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -227.073569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.073569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.073569 (E_RNA)
where:
Base-Base interactions energy: -146.360
where: short stacking energy: -69.845
Base-Backbone interact. energy: -0.506
local terms energy: -80.207725
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -20.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -180.901658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.901658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.901658 (E_RNA)
where:
Base-Base interactions energy: -101.611
where: short stacking energy: -41.836
Base-Backbone interact. energy: -0.526
local terms energy: -78.764772
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -11.977
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: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -157.011940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.011940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.011940 (E_RNA)
where:
Base-Base interactions energy: -91.675
where: short stacking energy: -43.367
Base-Backbone interact. energy: -0.107
local terms energy: -65.229570
where:
bonds (distance) C4'-P energy: -8.396
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -13.684
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: 3
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -101.496675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.496675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.496675 (E_RNA)
where:
Base-Base interactions energy: -43.959
where: short stacking energy: -28.475
Base-Backbone interact. energy: -0.112
local terms energy: -57.425980
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -7.056
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: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -95.776622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.776622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.776622 (E_RNA)
where:
Base-Base interactions energy: -40.504
where: short stacking energy: -38.521
Base-Backbone interact. energy: -0.206
local terms energy: -55.066798
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -7.932
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: 1, replica: 7
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -306.101074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.101074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.101074 (E_RNA)
where:
Base-Base interactions energy: -212.658
where: short stacking energy: -86.827
Base-Backbone interact. energy: -0.321
local terms energy: -93.122530
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -13.816
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: 2, replica: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -273.927631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.927631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.927631 (E_RNA)
where:
Base-Base interactions energy: -186.181
where: short stacking energy: -85.820
Base-Backbone interact. energy: -0.043
local terms energy: -87.703256
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -26.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -285.375503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.375503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.375503 (E_RNA)
where:
Base-Base interactions energy: -189.979
where: short stacking energy: -80.033
Base-Backbone interact. energy: -0.017
local terms energy: -95.379400
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -25.825
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: 9
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -278.622220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.622220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.622220 (E_RNA)
where:
Base-Base interactions energy: -191.437
where: short stacking energy: -71.432
Base-Backbone interact. energy: -0.190
local terms energy: -86.995260
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -21.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -218.443542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.443542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.443542 (E_RNA)
where:
Base-Base interactions energy: -139.268
where: short stacking energy: -64.263
Base-Backbone interact. energy: -0.104
local terms energy: -79.071221
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -19.227
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -19.254
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: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -240.247963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.247963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.247963 (E_RNA)
where:
Base-Base interactions energy: -162.645
where: short stacking energy: -67.641
Base-Backbone interact. energy: -0.067
local terms energy: -77.536464
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -171.136996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.136996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.136996 (E_RNA)
where:
Base-Base interactions energy: -107.142
where: short stacking energy: -43.506
Base-Backbone interact. energy: 1.142
local terms energy: -65.136704
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -7.253
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: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -159.616622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.616622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.616622 (E_RNA)
where:
Base-Base interactions energy: -91.810
where: short stacking energy: -39.022
Base-Backbone interact. energy: -0.965
local terms energy: -66.840878
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -86.900135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.900135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.900135 (E_RNA)
where:
Base-Base interactions energy: -14.359
where: short stacking energy: -14.359
Base-Backbone interact. energy: -0.148
local terms energy: -72.392472
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -0.796
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: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -81.329151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.329151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.329151 (E_RNA)
where:
Base-Base interactions energy: -24.749
where: short stacking energy: -19.626
Base-Backbone interact. energy: -0.594
local terms energy: -55.985963
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -302.038899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.038899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.038899 (E_RNA)
where:
Base-Base interactions energy: -206.332
where: short stacking energy: -85.946
Base-Backbone interact. energy: -0.053
local terms energy: -95.653380
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -21.546
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -26.695
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: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -286.320647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.320647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.320647 (E_RNA)
where:
Base-Base interactions energy: -192.284
where: short stacking energy: -72.332
Base-Backbone interact. energy: -0.179
local terms energy: -93.857188
where:
bonds (distance) C4'-P energy: -19.558
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -22.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -286.793296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.793296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.793296 (E_RNA)
where:
Base-Base interactions energy: -195.818
where: short stacking energy: -80.232
Base-Backbone interact. energy: -0.030
local terms energy: -90.945940
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -23.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -266.064771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.064771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.064771 (E_RNA)
where:
Base-Base interactions energy: -182.981
where: short stacking energy: -68.022
Base-Backbone interact. energy: 0.091
local terms energy: -83.174838
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -21.000
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: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -232.575765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.575765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.575765 (E_RNA)
where:
Base-Base interactions energy: -152.520
where: short stacking energy: -64.098
Base-Backbone interact. energy: -0.980
local terms energy: -79.076047
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -18.959
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: 96
Temperature: 1.150000
Total energy: -225.799675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.799675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.799675 (E_RNA)
where:
Base-Base interactions energy: -145.777
where: short stacking energy: -62.730
Base-Backbone interact. energy: -0.212
local terms energy: -79.810953
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -18.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -156.482741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.482741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.482741 (E_RNA)
where:
Base-Base interactions energy: -89.258
where: short stacking energy: -53.573
Base-Backbone interact. energy: -0.297
local terms energy: -66.928200
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -9.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -125.229409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.229409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.229409 (E_RNA)
where:
Base-Base interactions energy: -70.143
where: short stacking energy: -33.942
Base-Backbone interact. energy: -0.553
local terms energy: -54.533016
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -9.917
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: 1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -93.085590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.085590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.085590 (E_RNA)
where:
Base-Base interactions energy: -34.374
where: short stacking energy: -32.361
Base-Backbone interact. energy: -0.758
local terms energy: -57.953494
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -86.263825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.263825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.263825 (E_RNA)
where:
Base-Base interactions energy: -32.143
where: short stacking energy: -24.923
Base-Backbone interact. energy: -0.277
local terms energy: -53.844025
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -0.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -289.660828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.660828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.660828 (E_RNA)
where:
Base-Base interactions energy: -202.767
where: short stacking energy: -87.298
Base-Backbone interact. energy: -0.064
local terms energy: -86.829093
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -23.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -278.576082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.576082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.576082 (E_RNA)
where:
Base-Base interactions energy: -187.876
where: short stacking energy: -76.160
Base-Backbone interact. energy: -0.223
local terms energy: -90.477829
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -20.934
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -19.014
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: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -271.251193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.251193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.251193 (E_RNA)
where:
Base-Base interactions energy: -179.560
where: short stacking energy: -83.159
Base-Backbone interact. energy: -0.038
local terms energy: -91.652935
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -23.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -257.944987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.944987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.944987 (E_RNA)
where:
Base-Base interactions energy: -171.412
where: short stacking energy: -76.859
Base-Backbone interact. energy: -0.160
local terms energy: -86.373509
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -22.559
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: 9
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -264.316071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.316071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.316071 (E_RNA)
where:
Base-Base interactions energy: -190.253
where: short stacking energy: -67.941
Base-Backbone interact. energy: -0.126
local terms energy: -73.937790
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -232.580590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.580590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.580590 (E_RNA)
where:
Base-Base interactions energy: -153.648
where: short stacking energy: -69.358
Base-Backbone interact. energy: -0.579
local terms energy: -78.353469
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -14.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -135.012971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.012971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.012971 (E_RNA)
where:
Base-Base interactions energy: -73.505
where: short stacking energy: -34.474
Base-Backbone interact. energy: -0.108
local terms energy: -61.400185
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -6.112
tors. eta vs tors. theta energy: -1.461
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: 8, replica: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -100.077135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.077135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.077135 (E_RNA)
where:
Base-Base interactions energy: -45.113
where: short stacking energy: -42.744
Base-Backbone interact. energy: -0.104
local terms energy: -54.860505
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -7.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -106.061913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.061913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.061913 (E_RNA)
where:
Base-Base interactions energy: -43.821
where: short stacking energy: -39.722
Base-Backbone interact. energy: 0.502
local terms energy: -62.743256
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -18.496
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -9.142
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: 3
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -82.807796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.807796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.807796 (E_RNA)
where:
Base-Base interactions energy: -30.382
where: short stacking energy: -26.482
Base-Backbone interact. energy: -0.028
local terms energy: -52.397670
where:
bonds (distance) C4'-P energy: -9.251
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -6.691
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: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -285.530545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.530545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.530545 (E_RNA)
where:
Base-Base interactions energy: -192.203
where: short stacking energy: -83.421
Base-Backbone interact. energy: -0.378
local terms energy: -92.949870
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -22.536
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: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -295.406863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.406863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.406863 (E_RNA)
where:
Base-Base interactions energy: -197.953
where: short stacking energy: -81.828
Base-Backbone interact. energy: -0.053
local terms energy: -97.400746
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -15.919
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: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -246.430364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.430364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.430364 (E_RNA)
where:
Base-Base interactions energy: -159.507
where: short stacking energy: -61.741
Base-Backbone interact. energy: -0.073
local terms energy: -86.850147
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -20.954
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -8.882
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: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -269.570470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.570470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.570470 (E_RNA)
where:
Base-Base interactions energy: -179.384
where: short stacking energy: -83.565
Base-Backbone interact. energy: 1.488
local terms energy: -91.674002
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -25.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -263.793230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.793230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.793230 (E_RNA)
where:
Base-Base interactions energy: -177.731
where: short stacking energy: -60.401
Base-Backbone interact. energy: -0.848
local terms energy: -85.214226
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -22.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -215.844382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.844382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.844382 (E_RNA)
where:
Base-Base interactions energy: -136.890
where: short stacking energy: -55.567
Base-Backbone interact. energy: -0.290
local terms energy: -78.664839
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -18.385
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: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -108.094825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.094825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.094825 (E_RNA)
where:
Base-Base interactions energy: -48.531
where: short stacking energy: -48.506
Base-Backbone interact. energy: -0.451
local terms energy: -59.113231
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -11.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -107.297002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.297002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.297002 (E_RNA)
where:
Base-Base interactions energy: -46.771
where: short stacking energy: -32.444
Base-Backbone interact. energy: -0.329
local terms energy: -60.197364
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: 0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -99.763834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.763834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.763834 (E_RNA)
where:
Base-Base interactions energy: -36.300
where: short stacking energy: -31.161
Base-Backbone interact. energy: -0.242
local terms energy: -63.221095
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -8.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -89.527544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.527544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.527544 (E_RNA)
where:
Base-Base interactions energy: -31.014
where: short stacking energy: -24.356
Base-Backbone interact. energy: 1.384
local terms energy: -59.897430
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -291.749945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.749945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.749945 (E_RNA)
where:
Base-Base interactions energy: -194.589
where: short stacking energy: -85.566
Base-Backbone interact. energy: -0.039
local terms energy: -97.121669
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -26.072
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: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -292.579098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.579098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.579098 (E_RNA)
where:
Base-Base interactions energy: -208.855
where: short stacking energy: -88.690
Base-Backbone interact. energy: -0.016
local terms energy: -83.707916
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -26.723
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: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -233.641001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.641001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.641001 (E_RNA)
where:
Base-Base interactions energy: -147.879
where: short stacking energy: -66.756
Base-Backbone interact. energy: -0.112
local terms energy: -85.650345
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -19.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -291.338554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.338554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.338554 (E_RNA)
where:
Base-Base interactions energy: -195.670
where: short stacking energy: -91.219
Base-Backbone interact. energy: -0.056
local terms energy: -95.612379
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -27.789
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: 5, replica: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -258.980910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.980910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.980910 (E_RNA)
where:
Base-Base interactions energy: -178.705
where: short stacking energy: -73.117
Base-Backbone interact. energy: -0.097
local terms energy: -80.178904
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -222.211856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.211856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.211856 (E_RNA)
where:
Base-Base interactions energy: -139.582
where: short stacking energy: -67.786
Base-Backbone interact. energy: -0.361
local terms energy: -82.268557
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -102.366624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.366624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.366624 (E_RNA)
where:
Base-Base interactions energy: -43.463
where: short stacking energy: -23.009
Base-Backbone interact. energy: 0.392
local terms energy: -59.296253
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -2.441
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: 3
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -121.192736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.192736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.192736 (E_RNA)
where:
Base-Base interactions energy: -63.773
where: short stacking energy: -28.491
Base-Backbone interact. energy: -0.078
local terms energy: -57.341411
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: 0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -130.009203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.009203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.009203 (E_RNA)
where:
Base-Base interactions energy: -50.563
where: short stacking energy: -36.497
Base-Backbone interact. energy: -0.013
local terms energy: -79.433065
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -11.049
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: 1
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -93.680675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.680675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.680675 (E_RNA)
where:
Base-Base interactions energy: -39.191
where: short stacking energy: -34.101
Base-Backbone interact. energy: -0.141
local terms energy: -54.348607
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -293.529297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.529297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.529297 (E_RNA)
where:
Base-Base interactions energy: -196.689
where: short stacking energy: -86.287
Base-Backbone interact. energy: -0.097
local terms energy: -96.743136
where:
bonds (distance) C4'-P energy: -19.430
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -24.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -277.745775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.745775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.745775 (E_RNA)
where:
Base-Base interactions energy: -188.074
where: short stacking energy: -82.560
Base-Backbone interact. energy: -0.110
local terms energy: -89.561998
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -22.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -283.953268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.953268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.953268 (E_RNA)
where:
Base-Base interactions energy: -192.810
where: short stacking energy: -89.156
Base-Backbone interact. energy: -0.390
local terms energy: -90.752934
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -19.539
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -28.147
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: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -234.925571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.925571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.925571 (E_RNA)
where:
Base-Base interactions energy: -153.985
where: short stacking energy: -62.074
Base-Backbone interact. energy: -1.103
local terms energy: -79.837239
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -18.499
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: 5, replica: 9
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -272.696829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.696829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.696829 (E_RNA)
where:
Base-Base interactions energy: -182.371
where: short stacking energy: -72.785
Base-Backbone interact. energy: -0.135
local terms energy: -90.191442
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -24.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -214.951013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.951013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.951013 (E_RNA)
where:
Base-Base interactions energy: -144.743
where: short stacking energy: -68.824
Base-Backbone interact. energy: -0.304
local terms energy: -69.903999
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -167.030953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.030953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.030953 (E_RNA)
where:
Base-Base interactions energy: -96.888
where: short stacking energy: -57.130
Base-Backbone interact. energy: -0.051
local terms energy: -70.091240
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -12.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -101.647719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.647719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.647719 (E_RNA)
where:
Base-Base interactions energy: -34.831
where: short stacking energy: -24.425
Base-Backbone interact. energy: -1.722
local terms energy: -65.094121
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -6.115
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: 9, replica: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -95.532964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.532964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.532964 (E_RNA)
where:
Base-Base interactions energy: -42.135
where: short stacking energy: -23.902
Base-Backbone interact. energy: 1.247
local terms energy: -54.644944
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: 0.598
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: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -90.159982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.159982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.159982 (E_RNA)
where:
Base-Base interactions energy: -33.222
where: short stacking energy: -23.188
Base-Backbone interact. energy: -0.200
local terms energy: -56.738079
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -287.279219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.279219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.279219 (E_RNA)
where:
Base-Base interactions energy: -190.229
where: short stacking energy: -87.365
Base-Backbone interact. energy: -0.006
local terms energy: -97.044354
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -27.839
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: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -274.572693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.572693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.572693 (E_RNA)
where:
Base-Base interactions energy: -182.312
where: short stacking energy: -75.761
Base-Backbone interact. energy: -0.388
local terms energy: -91.872429
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: -19.300
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: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -278.299817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.299817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.299817 (E_RNA)
where:
Base-Base interactions energy: -182.419
where: short stacking energy: -80.716
Base-Backbone interact. energy: -0.101
local terms energy: -95.779596
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -20.114
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -280.116713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.116713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.116713 (E_RNA)
where:
Base-Base interactions energy: -192.791
where: short stacking energy: -74.958
Base-Backbone interact. energy: -0.149
local terms energy: -87.176586
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -21.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -252.287732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.287732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.287732 (E_RNA)
where:
Base-Base interactions energy: -165.505
where: short stacking energy: -78.208
Base-Backbone interact. energy: -0.784
local terms energy: -85.998657
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -23.021
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: 101
Temperature: 1.150000
Total energy: -236.819217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.819217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.819217 (E_RNA)
where:
Base-Base interactions energy: -149.782
where: short stacking energy: -73.620
Base-Backbone interact. energy: -0.003
local terms energy: -87.034527
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -22.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -101.549259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.549259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.549259 (E_RNA)
where:
Base-Base interactions energy: -34.042
where: short stacking energy: -25.932
Base-Backbone interact. energy: -0.339
local terms energy: -67.168645
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -2.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -112.621332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.621332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.621332 (E_RNA)
where:
Base-Base interactions energy: -35.856
where: short stacking energy: -33.878
Base-Backbone interact. energy: -0.064
local terms energy: -76.701742
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -10.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -89.385028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.385028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.385028 (E_RNA)
where:
Base-Base interactions energy: -31.839
where: short stacking energy: -19.099
Base-Backbone interact. energy: -0.071
local terms energy: -57.474543
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: 4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -93.228362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.228362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.228362 (E_RNA)
where:
Base-Base interactions energy: -33.186
where: short stacking energy: -28.373
Base-Backbone interact. energy: -0.453
local terms energy: -59.589601
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -7.276
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: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -289.085213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.085213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.085213 (E_RNA)
where:
Base-Base interactions energy: -191.959
where: short stacking energy: -80.759
Base-Backbone interact. energy: -0.200
local terms energy: -96.925983
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -21.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -291.738505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.738505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.738505 (E_RNA)
where:
Base-Base interactions energy: -196.389
where: short stacking energy: -90.061
Base-Backbone interact. energy: -0.068
local terms energy: -95.282242
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -27.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -277.511932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.511932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.511932 (E_RNA)
where:
Base-Base interactions energy: -190.558
where: short stacking energy: -74.605
Base-Backbone interact. energy: -1.373
local terms energy: -85.581001
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -23.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -297.693174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.693174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.693174 (E_RNA)
where:
Base-Base interactions energy: -202.364
where: short stacking energy: -79.722
Base-Backbone interact. energy: -0.033
local terms energy: -95.295959
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -23.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -247.579821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.579821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.579821 (E_RNA)
where:
Base-Base interactions energy: -165.190
where: short stacking energy: -70.892
Base-Backbone interact. energy: -0.923
local terms energy: -81.466234
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -18.567
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: 6, replica: 8
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -218.502064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.502064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.502064 (E_RNA)
where:
Base-Base interactions energy: -140.057
where: short stacking energy: -52.438
Base-Backbone interact. energy: -0.811
local terms energy: -77.634329
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -159.380270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.380270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.380270 (E_RNA)
where:
Base-Base interactions energy: -94.575
where: short stacking energy: -40.019
Base-Backbone interact. energy: -0.065
local terms energy: -64.740132
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -92.328585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.328585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.328585 (E_RNA)
where:
Base-Base interactions energy: -27.600
where: short stacking energy: -27.427
Base-Backbone interact. energy: -0.258
local terms energy: -64.470649
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -6.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -81.737654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.737654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.737654 (E_RNA)
where:
Base-Base interactions energy: -30.590
where: short stacking energy: -25.316
Base-Backbone interact. energy: -0.138
local terms energy: -51.010523
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: 3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -113.766822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.766822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.766822 (E_RNA)
where:
Base-Base interactions energy: -54.601
where: short stacking energy: -29.430
Base-Backbone interact. energy: 1.512
local terms energy: -60.677836
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: 2.639
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: 1, replica: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -289.299425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.299425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.299425 (E_RNA)
where:
Base-Base interactions energy: -191.257
where: short stacking energy: -90.555
Base-Backbone interact. energy: 0.517
local terms energy: -98.558621
where:
bonds (distance) C4'-P energy: -21.614
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -28.535
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: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -291.486163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.486163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.486163 (E_RNA)
where:
Base-Base interactions energy: -196.233
where: short stacking energy: -81.563
Base-Backbone interact. energy: -0.368
local terms energy: -94.884714
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -13.631
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: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -281.467604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.467604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.467604 (E_RNA)
where:
Base-Base interactions energy: -192.326
where: short stacking energy: -75.331
Base-Backbone interact. energy: -0.026
local terms energy: -89.115453
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -3.500
tors. eta vs tors. theta energy: -26.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -270.948471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.948471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.948471 (E_RNA)
where:
Base-Base interactions energy: -177.886
where: short stacking energy: -80.606
Base-Backbone interact. energy: -0.003
local terms energy: -93.059394
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -23.155
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: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -225.524998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.524998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.524998 (E_RNA)
where:
Base-Base interactions energy: -146.621
where: short stacking energy: -70.703
Base-Backbone interact. energy: -0.017
local terms energy: -78.887168
where:
bonds (distance) C4'-P energy: -18.473
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -16.320
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: 103
Temperature: 1.150000
Total energy: -210.901757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.901757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.901757 (E_RNA)
where:
Base-Base interactions energy: -133.349
where: short stacking energy: -56.541
Base-Backbone interact. energy: -0.304
local terms energy: -77.249076
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -16.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -163.686785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.686785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.686785 (E_RNA)
where:
Base-Base interactions energy: -90.919
where: short stacking energy: -50.839
Base-Backbone interact. energy: -0.082
local terms energy: -72.686171
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -9.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -95.094766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.094766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.094766 (E_RNA)
where:
Base-Base interactions energy: -39.340
where: short stacking energy: -30.503
Base-Backbone interact. energy: -0.707
local terms energy: -55.047503
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -5.824
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: 9, replica: 4
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -89.721852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.721852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.721852 (E_RNA)
where:
Base-Base interactions energy: -25.861
where: short stacking energy: -16.771
Base-Backbone interact. energy: -0.445
local terms energy: -63.415396
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -1.602
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: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -85.546145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.546145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.546145 (E_RNA)
where:
Base-Base interactions energy: -31.294
where: short stacking energy: -20.631
Base-Backbone interact. energy: -1.054
local terms energy: -53.198689
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: 0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -306.356304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.356304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.356304 (E_RNA)
where:
Base-Base interactions energy: -210.984
where: short stacking energy: -88.617
Base-Backbone interact. energy: -0.095
local terms energy: -95.277983
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -24.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -288.458748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.458748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.458748 (E_RNA)
where:
Base-Base interactions energy: -183.761
where: short stacking energy: -90.534
Base-Backbone interact. energy: -0.013
local terms energy: -104.685256
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -13.982
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: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -277.799545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.799545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.799545 (E_RNA)
where:
Base-Base interactions energy: -189.490
where: short stacking energy: -87.711
Base-Backbone interact. energy: -0.238
local terms energy: -88.070951
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -24.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -269.447212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.447212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.447212 (E_RNA)
where:
Base-Base interactions energy: -188.730
where: short stacking energy: -65.250
Base-Backbone interact. energy: -0.166
local terms energy: -80.551781
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -23.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -214.415527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.415527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.415527 (E_RNA)
where:
Base-Base interactions energy: -134.018
where: short stacking energy: -69.613
Base-Backbone interact. energy: -0.108
local terms energy: -80.290262
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -19.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -210.632747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.632747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.632747 (E_RNA)
where:
Base-Base interactions energy: -132.239
where: short stacking energy: -60.110
Base-Backbone interact. energy: -0.003
local terms energy: -78.390062
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -18.246
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -114.125727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.125727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.125727 (E_RNA)
where:
Base-Base interactions energy: -49.479
where: short stacking energy: -43.048
Base-Backbone interact. energy: 0.056
local terms energy: -64.702843
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -7.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -144.287794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.287794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.287794 (E_RNA)
where:
Base-Base interactions energy: -86.311
where: short stacking energy: -37.870
Base-Backbone interact. energy: -0.791
local terms energy: -57.185660
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -89.061652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.061652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.061652 (E_RNA)
where:
Base-Base interactions energy: -42.104
where: short stacking energy: -24.578
Base-Backbone interact. energy: -0.553
local terms energy: -46.404397
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: 5.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -83.991872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.991872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.991872 (E_RNA)
where:
Base-Base interactions energy: -28.174
where: short stacking energy: -23.291
Base-Backbone interact. energy: -0.295
local terms energy: -55.523296
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: 2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -286.945331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.945331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.945331 (E_RNA)
where:
Base-Base interactions energy: -190.994
where: short stacking energy: -85.878
Base-Backbone interact. energy: -0.177
local terms energy: -95.774142
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -25.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -283.949861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.949861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.949861 (E_RNA)
where:
Base-Base interactions energy: -194.099
where: short stacking energy: -86.774
Base-Backbone interact. energy: -1.967
local terms energy: -87.884587
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -25.838
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: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -279.323838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.323838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.323838 (E_RNA)
where:
Base-Base interactions energy: -187.562
where: short stacking energy: -85.824
Base-Backbone interact. energy: -0.005
local terms energy: -91.756217
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -21.681
flat angles P-C4'-P energy: -13.671
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: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -266.950714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.950714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.950714 (E_RNA)
where:
Base-Base interactions energy: -182.147
where: short stacking energy: -69.218
Base-Backbone interact. energy: -0.051
local terms energy: -84.752331
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -22.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -238.174046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.174046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.174046 (E_RNA)
where:
Base-Base interactions energy: -146.674
where: short stacking energy: -69.209
Base-Backbone interact. energy: -0.038
local terms energy: -91.462290
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -221.231344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.231344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.231344 (E_RNA)
where:
Base-Base interactions energy: -144.689
where: short stacking energy: -69.305
Base-Backbone interact. energy: -0.518
local terms energy: -76.024089
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -97.699930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.699930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.699930 (E_RNA)
where:
Base-Base interactions energy: -35.556
where: short stacking energy: -35.556
Base-Backbone interact. energy: -0.196
local terms energy: -61.947670
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -144.454150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.454150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.454150 (E_RNA)
where:
Base-Base interactions energy: -81.317
where: short stacking energy: -45.539
Base-Backbone interact. energy: -0.013
local terms energy: -63.123857
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -8.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -106.946169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.946169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.946169 (E_RNA)
where:
Base-Base interactions energy: -51.932
where: short stacking energy: -39.782
Base-Backbone interact. energy: 0.163
local terms energy: -55.177589
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -13.908
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: 10, replica: 4
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -87.432744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.432744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.432744 (E_RNA)
where:
Base-Base interactions energy: -22.313
where: short stacking energy: -23.013
Base-Backbone interact. energy: 0.189
local terms energy: -65.308819
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -20.102
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -292.432613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.432613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.432613 (E_RNA)
where:
Base-Base interactions energy: -191.175
where: short stacking energy: -89.645
Base-Backbone interact. energy: -0.892
local terms energy: -100.365699
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -28.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -288.022715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.022715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.022715 (E_RNA)
where:
Base-Base interactions energy: -193.276
where: short stacking energy: -89.219
Base-Backbone interact. energy: -0.001
local terms energy: -94.745782
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -29.200
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: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -276.758279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.758279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.758279 (E_RNA)
where:
Base-Base interactions energy: -191.253
where: short stacking energy: -78.271
Base-Backbone interact. energy: -0.822
local terms energy: -84.683229
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -19.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -263.855252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.855252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.855252 (E_RNA)
where:
Base-Base interactions energy: -175.344
where: short stacking energy: -65.197
Base-Backbone interact. energy: -0.101
local terms energy: -88.410698
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -18.807
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -11.618
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: 5, replica: 8
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -226.502883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.502883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.502883 (E_RNA)
where:
Base-Base interactions energy: -154.911
where: short stacking energy: -72.755
Base-Backbone interact. energy: 0.922
local terms energy: -72.514249
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -5.006
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: 6, replica: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -220.342198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.342198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.342198 (E_RNA)
where:
Base-Base interactions energy: -149.456
where: short stacking energy: -66.979
Base-Backbone interact. energy: -0.249
local terms energy: -70.637413
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -111.023356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.023356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.023356 (E_RNA)
where:
Base-Base interactions energy: -55.042
where: short stacking energy: -33.471
Base-Backbone interact. energy: -1.215
local terms energy: -54.766591
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -7.616
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: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -101.517509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.517509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.517509 (E_RNA)
where:
Base-Base interactions energy: -42.214
where: short stacking energy: -42.214
Base-Backbone interact. energy: -0.073
local terms energy: -59.230648
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -8.575
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: 9, replica: 4
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -99.824963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.824963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.824963 (E_RNA)
where:
Base-Base interactions energy: -39.334
where: short stacking energy: -31.309
Base-Backbone interact. energy: 0.788
local terms energy: -61.278752
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -84.914524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.914524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.914524 (E_RNA)
where:
Base-Base interactions energy: -35.465
where: short stacking energy: -26.277
Base-Backbone interact. energy: -0.315
local terms energy: -49.135175
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -300.902222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.902222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.902222 (E_RNA)
where:
Base-Base interactions energy: -202.054
where: short stacking energy: -85.441
Base-Backbone interact. energy: -0.042
local terms energy: -98.806182
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -14.362
tors. eta vs tors. theta energy: -28.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -284.248964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.248964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.248964 (E_RNA)
where:
Base-Base interactions energy: -193.405
where: short stacking energy: -78.422
Base-Backbone interact. energy: -0.159
local terms energy: -90.684460
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -19.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -282.346288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.346288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.346288 (E_RNA)
where:
Base-Base interactions energy: -196.829
where: short stacking energy: -75.868
Base-Backbone interact. energy: -0.030
local terms energy: -85.486961
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -23.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -262.938941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.938941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.938941 (E_RNA)
where:
Base-Base interactions energy: -182.632
where: short stacking energy: -66.752
Base-Backbone interact. energy: -0.971
local terms energy: -79.335191
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -11.627
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: 5, replica: 8
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -220.770471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.770471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.770471 (E_RNA)
where:
Base-Base interactions energy: -137.143
where: short stacking energy: -64.562
Base-Backbone interact. energy: -0.031
local terms energy: -83.596406
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -17.526
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: 107
Temperature: 1.150000
Total energy: -236.647389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.647389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.647389 (E_RNA)
where:
Base-Base interactions energy: -151.841
where: short stacking energy: -72.110
Base-Backbone interact. energy: 1.500
local terms energy: -86.306042
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -102.786807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.786807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.786807 (E_RNA)
where:
Base-Base interactions energy: -37.696
where: short stacking energy: -25.060
Base-Backbone interact. energy: -0.908
local terms energy: -64.183267
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -102.245354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.245354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.245354 (E_RNA)
where:
Base-Base interactions energy: -39.116
where: short stacking energy: -39.116
Base-Backbone interact. energy: -0.667
local terms energy: -62.462318
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -5.117
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: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -101.892356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.892356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.892356 (E_RNA)
where:
Base-Base interactions energy: -30.044
where: short stacking energy: -25.346
Base-Backbone interact. energy: -0.232
local terms energy: -71.616796
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -8.433
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: 10, replica: 3
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -94.070002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.070002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.070002 (E_RNA)
where:
Base-Base interactions energy: -36.380
where: short stacking energy: -25.957
Base-Backbone interact. energy: -0.299
local terms energy: -57.391275
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -3.857
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: 10
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -304.456555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.456555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.456555 (E_RNA)
where:
Base-Base interactions energy: -209.192
where: short stacking energy: -97.377
Base-Backbone interact. energy: -0.098
local terms energy: -95.166061
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -25.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -278.624682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.624682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.624682 (E_RNA)
where:
Base-Base interactions energy: -185.415
where: short stacking energy: -71.449
Base-Backbone interact. energy: -0.738
local terms energy: -92.471818
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -20.936
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: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -267.722954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.722954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.722954 (E_RNA)
where:
Base-Base interactions energy: -182.378
where: short stacking energy: -69.581
Base-Backbone interact. energy: -0.105
local terms energy: -85.239649
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -24.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -257.152823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.152823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.152823 (E_RNA)
where:
Base-Base interactions energy: -175.829
where: short stacking energy: -71.324
Base-Backbone interact. energy: 0.555
local terms energy: -81.878552
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -23.437
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: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -257.478575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.478575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.478575 (E_RNA)
where:
Base-Base interactions energy: -176.617
where: short stacking energy: -68.886
Base-Backbone interact. energy: -0.040
local terms energy: -80.821656
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -18.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -213.086147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.086147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.086147 (E_RNA)
where:
Base-Base interactions energy: -125.937
where: short stacking energy: -62.841
Base-Backbone interact. energy: -0.547
local terms energy: -86.601314
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -130.893291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.893291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.893291 (E_RNA)
where:
Base-Base interactions energy: -67.003
where: short stacking energy: -30.270
Base-Backbone interact. energy: -1.401
local terms energy: -62.489002
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -108.791374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.791374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.791374 (E_RNA)
where:
Base-Base interactions energy: -50.715
where: short stacking energy: -25.701
Base-Backbone interact. energy: -0.232
local terms energy: -57.844526
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -8.096
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: 9, replica: 3
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -89.261479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.261479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.261479 (E_RNA)
where:
Base-Base interactions energy: -28.850
where: short stacking energy: -12.838
Base-Backbone interact. energy: 0.014
local terms energy: -60.425566
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: 1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -83.497981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.497981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.497981 (E_RNA)
where:
Base-Base interactions energy: -33.656
where: short stacking energy: -22.302
Base-Backbone interact. energy: -0.273
local terms energy: -49.569339
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -9.073
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: 2.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -298.720252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.720252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.720252 (E_RNA)
where:
Base-Base interactions energy: -201.529
where: short stacking energy: -85.763
Base-Backbone interact. energy: -0.085
local terms energy: -97.106116
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -28.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -283.928264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.928264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.928264 (E_RNA)
where:
Base-Base interactions energy: -192.339
where: short stacking energy: -81.218
Base-Backbone interact. energy: -0.145
local terms energy: -91.443823
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -24.987
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: 9
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -268.931188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.931188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.931188 (E_RNA)
where:
Base-Base interactions energy: -187.534
where: short stacking energy: -73.110
Base-Backbone interact. energy: -0.224
local terms energy: -81.172838
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -23.859
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: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -253.621047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.621047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.621047 (E_RNA)
where:
Base-Base interactions energy: -173.877
where: short stacking energy: -66.607
Base-Backbone interact. energy: -0.063
local terms energy: -79.680637
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -17.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -256.867629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.867629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.867629 (E_RNA)
where:
Base-Base interactions energy: -166.717
where: short stacking energy: -80.379
Base-Backbone interact. energy: -0.012
local terms energy: -90.139044
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -21.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -228.307212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.307212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.307212 (E_RNA)
where:
Base-Base interactions energy: -142.982
where: short stacking energy: -74.423
Base-Backbone interact. energy: -0.004
local terms energy: -85.321204
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -13.477
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: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -106.950826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.950826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.950826 (E_RNA)
where:
Base-Base interactions energy: -41.106
where: short stacking energy: -41.106
Base-Backbone interact. energy: 1.475
local terms energy: -67.319872
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -8.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -104.221574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.221574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.221574 (E_RNA)
where:
Base-Base interactions energy: -54.757
where: short stacking energy: -43.994
Base-Backbone interact. energy: -0.048
local terms energy: -49.417274
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -7.289
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -97.313380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.313380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.313380 (E_RNA)
where:
Base-Base interactions energy: -44.012
where: short stacking energy: -31.565
Base-Backbone interact. energy: 0.898
local terms energy: -54.199573
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: 1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -82.432447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.432447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.432447 (E_RNA)
where:
Base-Base interactions energy: -28.580
where: short stacking energy: -28.386
Base-Backbone interact. energy: -0.259
local terms energy: -53.593626
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: 0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -289.536859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.536859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.536859 (E_RNA)
where:
Base-Base interactions energy: -197.986
where: short stacking energy: -85.379
Base-Backbone interact. energy: -0.013
local terms energy: -91.538085
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -23.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -293.667141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.667141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.667141 (E_RNA)
where:
Base-Base interactions energy: -196.988
where: short stacking energy: -77.444
Base-Backbone interact. energy: -0.005
local terms energy: -96.674168
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -22.762
flat angles P-C4'-P energy: -14.489
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: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -274.016920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.016920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.016920 (E_RNA)
where:
Base-Base interactions energy: -191.531
where: short stacking energy: -75.171
Base-Backbone interact. energy: -0.012
local terms energy: -82.474515
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -264.936174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.936174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.936174 (E_RNA)
where:
Base-Base interactions energy: -180.169
where: short stacking energy: -75.101
Base-Backbone interact. energy: -0.094
local terms energy: -84.673133
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -23.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -270.220326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.220326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.220326 (E_RNA)
where:
Base-Base interactions energy: -183.892
where: short stacking energy: -70.472
Base-Backbone interact. energy: -0.300
local terms energy: -86.028102
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -21.533
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: 110
Temperature: 1.150000
Total energy: -212.175020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.175020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.175020 (E_RNA)
where:
Base-Base interactions energy: -135.680
where: short stacking energy: -58.865
Base-Backbone interact. energy: 0.802
local terms energy: -77.296154
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -104.054315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.054315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.054315 (E_RNA)
where:
Base-Base interactions energy: -44.437
where: short stacking energy: -24.513
Base-Backbone interact. energy: -0.381
local terms energy: -59.235884
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -103.270802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.270802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.270802 (E_RNA)
where:
Base-Base interactions energy: -37.050
where: short stacking energy: -37.050
Base-Backbone interact. energy: -0.262
local terms energy: -65.959452
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -19.612
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -5.865
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: 9, replica: 1
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -93.666929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.666929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.666929 (E_RNA)
where:
Base-Base interactions energy: -32.936
where: short stacking energy: -23.283
Base-Backbone interact. energy: -0.247
local terms energy: -60.484264
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: 0.048
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: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -90.236960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.236960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.236960 (E_RNA)
where:
Base-Base interactions energy: -28.681
where: short stacking energy: -28.171
Base-Backbone interact. energy: -0.196
local terms energy: -61.360622
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -306.120303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.120303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.120303 (E_RNA)
where:
Base-Base interactions energy: -208.391
where: short stacking energy: -87.438
Base-Backbone interact. energy: -0.097
local terms energy: -97.632355
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -28.552
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: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -290.617352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.617352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.617352 (E_RNA)
where:
Base-Base interactions energy: -197.655
where: short stacking energy: -81.529
Base-Backbone interact. energy: -0.000
local terms energy: -92.962146
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -19.635
flat angles C4'-P-C4' energy: -20.866
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -23.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -268.456038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.456038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.456038 (E_RNA)
where:
Base-Base interactions energy: -193.635
where: short stacking energy: -74.654
Base-Backbone interact. energy: 0.795
local terms energy: -75.615435
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -21.665
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: 9
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -268.344689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.344689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.344689 (E_RNA)
where:
Base-Base interactions energy: -178.010
where: short stacking energy: -67.384
Base-Backbone interact. energy: -0.471
local terms energy: -89.863638
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -10.963
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: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -242.243030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.243030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.243030 (E_RNA)
where:
Base-Base interactions energy: -159.034
where: short stacking energy: -70.412
Base-Backbone interact. energy: -0.072
local terms energy: -83.136295
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -21.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -234.802248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.802248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.802248 (E_RNA)
where:
Base-Base interactions energy: -159.265
where: short stacking energy: -69.717
Base-Backbone interact. energy: -1.182
local terms energy: -74.354991
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -21.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -100.031277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.031277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.031277 (E_RNA)
where:
Base-Base interactions energy: -46.240
where: short stacking energy: -30.102
Base-Backbone interact. energy: -1.295
local terms energy: -52.496154
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: 1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -100.444019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.444019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.444019 (E_RNA)
where:
Base-Base interactions energy: -37.080
where: short stacking energy: -25.222
Base-Backbone interact. energy: -0.860
local terms energy: -62.504143
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -90.473701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.473701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.473701 (E_RNA)
where:
Base-Base interactions energy: -29.847
where: short stacking energy: -29.010
Base-Backbone interact. energy: -0.383
local terms energy: -60.243221
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -18.743
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -87.909285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.909285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.909285 (E_RNA)
where:
Base-Base interactions energy: -38.958
where: short stacking energy: -28.381
Base-Backbone interact. energy: 0.082
local terms energy: -49.033278
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -6.517
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: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -300.637464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.637464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.637464 (E_RNA)
where:
Base-Base interactions energy: -205.567
where: short stacking energy: -80.786
Base-Backbone interact. energy: -0.253
local terms energy: -94.817218
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -26.789
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: 2, replica: 7
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -281.361563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.361563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.361563 (E_RNA)
where:
Base-Base interactions energy: -188.839
where: short stacking energy: -91.031
Base-Backbone interact. energy: -0.098
local terms energy: -92.423975
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -26.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -271.304779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.304779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.304779 (E_RNA)
where:
Base-Base interactions energy: -190.320
where: short stacking energy: -67.309
Base-Backbone interact. energy: -0.296
local terms energy: -80.688694
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -11.168
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: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -262.574939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.574939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.574939 (E_RNA)
where:
Base-Base interactions energy: -179.410
where: short stacking energy: -70.599
Base-Backbone interact. energy: -0.310
local terms energy: -82.855011
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -18.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -245.350090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.350090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.350090 (E_RNA)
where:
Base-Base interactions energy: -153.418
where: short stacking energy: -75.026
Base-Backbone interact. energy: -0.232
local terms energy: -91.700376
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -19.394
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -22.060
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: 112
Temperature: 1.150000
Total energy: -231.957759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.957759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.957759 (E_RNA)
where:
Base-Base interactions energy: -155.483
where: short stacking energy: -69.432
Base-Backbone interact. energy: -0.110
local terms energy: -76.364186
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -16.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -100.382773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.382773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.382773 (E_RNA)
where:
Base-Base interactions energy: -39.724
where: short stacking energy: -36.154
Base-Backbone interact. energy: 3.005
local terms energy: -63.664027
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -9.012
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: 8, replica: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -113.832075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.832075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.832075 (E_RNA)
where:
Base-Base interactions energy: -43.044
where: short stacking energy: -34.399
Base-Backbone interact. energy: -0.203
local terms energy: -70.585600
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -88.430519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.430519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.430519 (E_RNA)
where:
Base-Base interactions energy: -31.796
where: short stacking energy: -28.421
Base-Backbone interact. energy: -0.018
local terms energy: -56.617393
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: 1.534
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: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -93.823642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.823642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.823642 (E_RNA)
where:
Base-Base interactions energy: -38.000
where: short stacking energy: -23.195
Base-Backbone interact. energy: -0.264
local terms energy: -55.560275
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -13.195
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -8.294
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: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -304.476032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.476032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.476032 (E_RNA)
where:
Base-Base interactions energy: -204.635
where: short stacking energy: -88.075
Base-Backbone interact. energy: -0.003
local terms energy: -99.838422
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -24.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -280.582872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.582872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.582872 (E_RNA)
where:
Base-Base interactions energy: -188.537
where: short stacking energy: -80.102
Base-Backbone interact. energy: -0.104
local terms energy: -91.941684
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -21.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -285.950012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.950012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.950012 (E_RNA)
where:
Base-Base interactions energy: -189.520
where: short stacking energy: -79.920
Base-Backbone interact. energy: -0.540
local terms energy: -95.889590
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -24.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -249.578747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.578747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.578747 (E_RNA)
where:
Base-Base interactions energy: -165.474
where: short stacking energy: -72.707
Base-Backbone interact. energy: -0.137
local terms energy: -83.967625
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -11.487
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -244.532272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.532272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.532272 (E_RNA)
where:
Base-Base interactions energy: -169.794
where: short stacking energy: -68.162
Base-Backbone interact. energy: -0.020
local terms energy: -74.718453
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -231.372475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.372475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.372475 (E_RNA)
where:
Base-Base interactions energy: -163.537
where: short stacking energy: -69.356
Base-Backbone interact. energy: 0.181
local terms energy: -68.016779
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -6.986
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: 7, replica: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -112.467307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.467307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.467307 (E_RNA)
where:
Base-Base interactions energy: -53.181
where: short stacking energy: -39.757
Base-Backbone interact. energy: 0.189
local terms energy: -59.475069
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -6.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -90.941879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.941879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.941879 (E_RNA)
where:
Base-Base interactions energy: -34.771
where: short stacking energy: -34.771
Base-Backbone interact. energy: -0.148
local terms energy: -56.022839
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -101.376162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.376162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.376162 (E_RNA)
where:
Base-Base interactions energy: -34.921
where: short stacking energy: -34.921
Base-Backbone interact. energy: -0.094
local terms energy: -66.360606
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -6.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -88.696142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.696142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.696142 (E_RNA)
where:
Base-Base interactions energy: -31.200
where: short stacking energy: -29.093
Base-Backbone interact. energy: -0.203
local terms energy: -57.292558
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -4.450
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: 1, replica: 10
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -301.288085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.288085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.288085 (E_RNA)
where:
Base-Base interactions energy: -206.355
where: short stacking energy: -88.727
Base-Backbone interact. energy: -0.082
local terms energy: -94.850916
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -26.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -275.921538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.921538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.921538 (E_RNA)
where:
Base-Base interactions energy: -182.966
where: short stacking energy: -73.220
Base-Backbone interact. energy: -0.062
local terms energy: -92.893531
where:
bonds (distance) C4'-P energy: -20.228
bonds (distance) P-C4' energy: -20.972
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -22.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -283.073108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.073108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.073108 (E_RNA)
where:
Base-Base interactions energy: -188.206
where: short stacking energy: -79.316
Base-Backbone interact. energy: -0.208
local terms energy: -94.659364
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -25.615
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: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -262.783433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.783433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.783433 (E_RNA)
where:
Base-Base interactions energy: -175.508
where: short stacking energy: -71.388
Base-Backbone interact. energy: -0.555
local terms energy: -86.720319
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -248.188331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.188331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.188331 (E_RNA)
where:
Base-Base interactions energy: -170.720
where: short stacking energy: -62.920
Base-Backbone interact. energy: -0.269
local terms energy: -77.199860
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -18.351
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: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -227.248309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.248309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.248309 (E_RNA)
where:
Base-Base interactions energy: -139.667
where: short stacking energy: -53.329
Base-Backbone interact. energy: 0.733
local terms energy: -88.314444
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -18.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -102.561639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.561639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.561639 (E_RNA)
where:
Base-Base interactions energy: -52.193
where: short stacking energy: -43.068
Base-Backbone interact. energy: -0.055
local terms energy: -50.313788
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -5.091
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: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -90.596719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.596719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.596719 (E_RNA)
where:
Base-Base interactions energy: -35.789
where: short stacking energy: -35.789
Base-Backbone interact. energy: -0.142
local terms energy: -54.665911
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -2.299
tors. eta vs tors. theta energy: -5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -88.880207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.880207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.880207 (E_RNA)
where:
Base-Base interactions energy: -28.316
where: short stacking energy: -22.050
Base-Backbone interact. energy: -0.771
local terms energy: -59.793508
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -21.330
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: 5.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -88.212103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.212103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.212103 (E_RNA)
where:
Base-Base interactions energy: -30.502
where: short stacking energy: -30.215
Base-Backbone interact. energy: -0.221
local terms energy: -57.488780
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -285.076060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.076060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.076060 (E_RNA)
where:
Base-Base interactions energy: -186.601
where: short stacking energy: -88.913
Base-Backbone interact. energy: -1.213
local terms energy: -97.261913
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -19.719
flat angles P-C4'-P energy: -14.687
tors. eta vs tors. theta energy: -24.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -292.876521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.876521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.876521 (E_RNA)
where:
Base-Base interactions energy: -200.067
where: short stacking energy: -85.560
Base-Backbone interact. energy: -0.664
local terms energy: -92.145337
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -24.270
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: 3, replica: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -280.163199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.163199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.163199 (E_RNA)
where:
Base-Base interactions energy: -189.775
where: short stacking energy: -66.939
Base-Backbone interact. energy: -1.090
local terms energy: -89.298642
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -260.798869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.798869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.798869 (E_RNA)
where:
Base-Base interactions energy: -161.283
where: short stacking energy: -73.870
Base-Backbone interact. energy: -0.294
local terms energy: -99.221848
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -22.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -244.320685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.320685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.320685 (E_RNA)
where:
Base-Base interactions energy: -169.974
where: short stacking energy: -61.476
Base-Backbone interact. energy: -0.283
local terms energy: -74.063524
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -225.022819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.022819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.022819 (E_RNA)
where:
Base-Base interactions energy: -142.916
where: short stacking energy: -65.177
Base-Backbone interact. energy: -0.030
local terms energy: -82.077059
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -152.710574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.710574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.710574 (E_RNA)
where:
Base-Base interactions energy: -89.630
where: short stacking energy: -41.693
Base-Backbone interact. energy: -1.121
local terms energy: -61.959516
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -6.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -86.323552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.323552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.323552 (E_RNA)
where:
Base-Base interactions energy: -32.435
where: short stacking energy: -23.074
Base-Backbone interact. energy: -0.669
local terms energy: -53.219173
where:
bonds (distance) C4'-P energy: -7.885
bonds (distance) P-C4' energy: -20.080
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: 0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -99.682455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.682455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.682455 (E_RNA)
where:
Base-Base interactions energy: -41.611
where: short stacking energy: -34.713
Base-Backbone interact. energy: -0.170
local terms energy: -57.901696
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -3.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -85.001686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.001686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.001686 (E_RNA)
where:
Base-Base interactions energy: -39.147
where: short stacking energy: -31.807
Base-Backbone interact. energy: 0.404
local terms energy: -46.258709
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -3.711
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: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -294.931400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.931400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.931400 (E_RNA)
where:
Base-Base interactions energy: -199.052
where: short stacking energy: -82.327
Base-Backbone interact. energy: -0.063
local terms energy: -95.816513
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -27.076
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: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -288.133358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.133358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.133358 (E_RNA)
where:
Base-Base interactions energy: -199.349
where: short stacking energy: -85.189
Base-Backbone interact. energy: -0.060
local terms energy: -88.723870
where:
bonds (distance) C4'-P energy: -9.562
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -25.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -282.784864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.784864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.784864 (E_RNA)
where:
Base-Base interactions energy: -195.593
where: short stacking energy: -78.083
Base-Backbone interact. energy: -0.366
local terms energy: -86.825574
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -19.384
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -22.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -272.318441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.318441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.318441 (E_RNA)
where:
Base-Base interactions energy: -182.091
where: short stacking energy: -87.544
Base-Backbone interact. energy: -0.302
local terms energy: -89.925308
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -25.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -231.746562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.746562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.746562 (E_RNA)
where:
Base-Base interactions energy: -146.352
where: short stacking energy: -67.649
Base-Backbone interact. energy: 0.464
local terms energy: -85.858342
where:
bonds (distance) C4'-P energy: -19.127
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -254.571422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.571422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.571422 (E_RNA)
where:
Base-Base interactions energy: -173.376
where: short stacking energy: -63.025
Base-Backbone interact. energy: -0.795
local terms energy: -80.399757
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -18.891
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: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -168.230498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.230498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.230498 (E_RNA)
where:
Base-Base interactions energy: -99.760
where: short stacking energy: -43.192
Base-Backbone interact. energy: -0.667
local terms energy: -67.803973
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -20.693
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -10.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -99.315202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.315202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.315202 (E_RNA)
where:
Base-Base interactions energy: -26.284
where: short stacking energy: -28.574
Base-Backbone interact. energy: -0.091
local terms energy: -72.940199
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -7.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -96.532760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.532760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.532760 (E_RNA)
where:
Base-Base interactions energy: -38.535
where: short stacking energy: -31.280
Base-Backbone interact. energy: -0.867
local terms energy: -57.130866
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -9.365
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: 1
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -93.010239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.010239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.010239 (E_RNA)
where:
Base-Base interactions energy: -32.149
where: short stacking energy: -27.910
Base-Backbone interact. energy: -0.186
local terms energy: -60.675189
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -292.262701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.262701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.262701 (E_RNA)
where:
Base-Base interactions energy: -191.375
where: short stacking energy: -76.838
Base-Backbone interact. energy: -0.123
local terms energy: -100.764928
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -18.845
tors. eta vs tors. theta energy: -23.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -289.833254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.833254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.833254 (E_RNA)
where:
Base-Base interactions energy: -196.305
where: short stacking energy: -74.451
Base-Backbone interact. energy: -0.111
local terms energy: -93.417589
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -23.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -284.048499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.048499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.048499 (E_RNA)
where:
Base-Base interactions energy: -189.588
where: short stacking energy: -80.727
Base-Backbone interact. energy: -0.004
local terms energy: -94.455920
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -25.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -271.791342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.791342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.791342 (E_RNA)
where:
Base-Base interactions energy: -176.292
where: short stacking energy: -72.057
Base-Backbone interact. energy: -1.284
local terms energy: -94.215415
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -20.490
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: -22.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -225.933461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.933461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.933461 (E_RNA)
where:
Base-Base interactions energy: -147.595
where: short stacking energy: -62.432
Base-Backbone interact. energy: -0.054
local terms energy: -78.284430
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -260.524530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.524530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.524530 (E_RNA)
where:
Base-Base interactions energy: -180.745
where: short stacking energy: -68.254
Base-Backbone interact. energy: -0.314
local terms energy: -79.465128
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -243.521489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.521489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.521489 (E_RNA)
where:
Base-Base interactions energy: -158.931
where: short stacking energy: -75.085
Base-Backbone interact. energy: -0.246
local terms energy: -84.344276
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -19.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -89.625186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.625186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.625186 (E_RNA)
where:
Base-Base interactions energy: -32.975
where: short stacking energy: -29.468
Base-Backbone interact. energy: -0.017
local terms energy: -56.633209
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -4.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -91.679307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.679307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.679307 (E_RNA)
where:
Base-Base interactions energy: -35.020
where: short stacking energy: -24.479
Base-Backbone interact. energy: 0.703
local terms energy: -57.362308
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -104.014783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.014783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.014783 (E_RNA)
where:
Base-Base interactions energy: -37.736
where: short stacking energy: -37.736
Base-Backbone interact. energy: -0.123
local terms energy: -66.155842
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -3.046
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: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -295.813951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.813951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.813951 (E_RNA)
where:
Base-Base interactions energy: -202.153
where: short stacking energy: -76.815
Base-Backbone interact. energy: -0.106
local terms energy: -93.554657
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -27.003
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: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -286.980666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.980666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.980666 (E_RNA)
where:
Base-Base interactions energy: -197.805
where: short stacking energy: -72.059
Base-Backbone interact. energy: 0.061
local terms energy: -89.236918
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -19.513
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -22.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -285.823896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.823896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.823896 (E_RNA)
where:
Base-Base interactions energy: -191.644
where: short stacking energy: -86.583
Base-Backbone interact. energy: -0.017
local terms energy: -94.163035
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -20.923
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -23.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -246.288664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.288664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.288664 (E_RNA)
where:
Base-Base interactions energy: -164.654
where: short stacking energy: -74.490
Base-Backbone interact. energy: -0.215
local terms energy: -81.419903
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -20.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -215.699067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.699067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.699067 (E_RNA)
where:
Base-Base interactions energy: -136.394
where: short stacking energy: -58.881
Base-Backbone interact. energy: -0.016
local terms energy: -79.289511
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -222.302152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.302152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.302152 (E_RNA)
where:
Base-Base interactions energy: -142.461
where: short stacking energy: -57.226
Base-Backbone interact. energy: -0.535
local terms energy: -79.306332
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -15.841
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: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -257.258519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.258519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.258519 (E_RNA)
where:
Base-Base interactions energy: -177.622
where: short stacking energy: -80.664
Base-Backbone interact. energy: -0.097
local terms energy: -79.540296
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -23.146
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: 8, replica: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -98.679754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.679754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.679754 (E_RNA)
where:
Base-Base interactions energy: -41.855
where: short stacking energy: -40.066
Base-Backbone interact. energy: -0.333
local terms energy: -56.491821
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -1.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -88.433898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.433898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.433898 (E_RNA)
where:
Base-Base interactions energy: -38.395
where: short stacking energy: -23.367
Base-Backbone interact. energy: -0.247
local terms energy: -49.792696
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -87.645588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.645588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.645588 (E_RNA)
where:
Base-Base interactions energy: -40.293
where: short stacking energy: -39.758
Base-Backbone interact. energy: 1.469
local terms energy: -48.821039
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -3.207
tors. eta vs tors. theta energy: -4.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -291.417597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.417597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.417597 (E_RNA)
where:
Base-Base interactions energy: -197.874
where: short stacking energy: -76.687
Base-Backbone interact. energy: -0.128
local terms energy: -93.415968
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -21.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -294.863898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.863898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.863898 (E_RNA)
where:
Base-Base interactions energy: -200.772
where: short stacking energy: -82.437
Base-Backbone interact. energy: -0.312
local terms energy: -93.779078
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -27.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -278.847669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.847669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.847669 (E_RNA)
where:
Base-Base interactions energy: -190.470
where: short stacking energy: -87.422
Base-Backbone interact. energy: -0.375
local terms energy: -88.002097
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -26.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -224.549222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.549222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.549222 (E_RNA)
where:
Base-Base interactions energy: -141.729
where: short stacking energy: -66.569
Base-Backbone interact. energy: -0.024
local terms energy: -82.796257
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -251.708626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.708626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.708626 (E_RNA)
where:
Base-Base interactions energy: -169.398
where: short stacking energy: -71.337
Base-Backbone interact. energy: 0.199
local terms energy: -82.509505
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -25.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -233.075810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.075810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.075810 (E_RNA)
where:
Base-Base interactions energy: -151.369
where: short stacking energy: -64.951
Base-Backbone interact. energy: -0.122
local terms energy: -81.585039
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -18.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -202.120435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.120435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.120435 (E_RNA)
where:
Base-Base interactions energy: -126.475
where: short stacking energy: -65.623
Base-Backbone interact. energy: -0.612
local terms energy: -75.033185
where:
bonds (distance) C4'-P energy: -9.692
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -18.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -112.176767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.176767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.176767 (E_RNA)
where:
Base-Base interactions energy: -60.525
where: short stacking energy: -32.624
Base-Backbone interact. energy: -0.505
local terms energy: -51.146873
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -8.699
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -95.592404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.592404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.592404 (E_RNA)
where:
Base-Base interactions energy: -36.137
where: short stacking energy: -37.320
Base-Backbone interact. energy: -0.867
local terms energy: -58.588274
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -3.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -87.955976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.955976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.955976 (E_RNA)
where:
Base-Base interactions energy: -27.541
where: short stacking energy: -25.903
Base-Backbone interact. energy: 0.781
local terms energy: -61.195732
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -296.930738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.930738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.930738 (E_RNA)
where:
Base-Base interactions energy: -212.967
where: short stacking energy: -87.436
Base-Backbone interact. energy: -0.013
local terms energy: -83.949797
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -23.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -283.690321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.690321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.690321 (E_RNA)
where:
Base-Base interactions energy: -191.956
where: short stacking energy: -75.460
Base-Backbone interact. energy: -0.204
local terms energy: -91.529933
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -25.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -271.248014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.248014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.248014 (E_RNA)
where:
Base-Base interactions energy: -183.936
where: short stacking energy: -77.228
Base-Backbone interact. energy: -0.046
local terms energy: -87.266663
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -231.799335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.799335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.799335 (E_RNA)
where:
Base-Base interactions energy: -140.460
where: short stacking energy: -66.574
Base-Backbone interact. energy: -0.107
local terms energy: -91.231982
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -16.341
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -21.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -262.596150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.596150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.596150 (E_RNA)
where:
Base-Base interactions energy: -172.991
where: short stacking energy: -72.393
Base-Backbone interact. energy: 0.793
local terms energy: -90.398236
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -244.339622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.339622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.339622 (E_RNA)
where:
Base-Base interactions energy: -168.283
where: short stacking energy: -68.046
Base-Backbone interact. energy: -0.808
local terms energy: -75.248156
where:
bonds (distance) C4'-P energy: -8.526
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -219.619798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.619798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.619798 (E_RNA)
where:
Base-Base interactions energy: -136.316
where: short stacking energy: -62.107
Base-Backbone interact. energy: -0.310
local terms energy: -82.993279
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -20.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -138.122459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.122459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.122459 (E_RNA)
where:
Base-Base interactions energy: -77.760
where: short stacking energy: -38.701
Base-Backbone interact. energy: -0.432
local terms energy: -59.931005
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -5.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -94.488551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.488551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.488551 (E_RNA)
where:
Base-Base interactions energy: -30.362
where: short stacking energy: -29.509
Base-Backbone interact. energy: -0.644
local terms energy: -63.482766
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -0.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -88.104945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.104945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.104945 (E_RNA)
where:
Base-Base interactions energy: -29.566
where: short stacking energy: -29.566
Base-Backbone interact. energy: -0.158
local terms energy: -58.380089
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -2.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -293.876802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.876802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.876802 (E_RNA)
where:
Base-Base interactions energy: -197.727
where: short stacking energy: -79.293
Base-Backbone interact. energy: -0.095
local terms energy: -96.054282
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -19.351
flat angles C4'-P-C4' energy: -22.366
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -25.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -289.080193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.080193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.080193 (E_RNA)
where:
Base-Base interactions energy: -194.365
where: short stacking energy: -78.277
Base-Backbone interact. energy: 0.884
local terms energy: -95.599198
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -25.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -265.451472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.451472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.451472 (E_RNA)
where:
Base-Base interactions energy: -181.733
where: short stacking energy: -74.920
Base-Backbone interact. energy: -0.121
local terms energy: -83.597343
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -288.709682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.709682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.709682 (E_RNA)
where:
Base-Base interactions energy: -197.207
where: short stacking energy: -72.353
Base-Backbone interact. energy: -0.203
local terms energy: -91.299739
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -25.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -218.069940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.069940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.069940 (E_RNA)
where:
Base-Base interactions energy: -143.169
where: short stacking energy: -65.090
Base-Backbone interact. energy: -0.650
local terms energy: -74.250766
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -211.040617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.040617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.040617 (E_RNA)
where:
Base-Base interactions energy: -133.563
where: short stacking energy: -60.974
Base-Backbone interact. energy: -0.069
local terms energy: -77.408745
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -17.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -231.287402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.287402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.287402 (E_RNA)
where:
Base-Base interactions energy: -156.929
where: short stacking energy: -66.780
Base-Backbone interact. energy: -0.853
local terms energy: -73.504702
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -16.836
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: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -119.573783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.573783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.573783 (E_RNA)
where:
Base-Base interactions energy: -56.141
where: short stacking energy: -32.098
Base-Backbone interact. energy: -0.373
local terms energy: -63.059959
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -92.588049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.588049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.588049 (E_RNA)
where:
Base-Base interactions energy: -36.585
where: short stacking energy: -24.351
Base-Backbone interact. energy: 0.154
local terms energy: -56.157165
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -4.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -89.962683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.962683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.962683 (E_RNA)
where:
Base-Base interactions energy: -28.260
where: short stacking energy: -25.885
Base-Backbone interact. energy: -0.199
local terms energy: -61.504571
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -301.770339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.770339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.770339 (E_RNA)
where:
Base-Base interactions energy: -210.395
where: short stacking energy: -80.403
Base-Backbone interact. energy: -0.109
local terms energy: -91.265555
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -19.757
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -24.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -279.343578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.343578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.343578 (E_RNA)
where:
Base-Base interactions energy: -191.869
where: short stacking energy: -74.025
Base-Backbone interact. energy: -0.082
local terms energy: -87.393013
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -15.929
tors. eta vs tors. theta energy: -19.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -294.397485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.397485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.397485 (E_RNA)
where:
Base-Base interactions energy: -203.977
where: short stacking energy: -79.156
Base-Backbone interact. energy: -0.155
local terms energy: -90.265204
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -26.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -270.166915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.166915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.166915 (E_RNA)
where:
Base-Base interactions energy: -181.337
where: short stacking energy: -82.677
Base-Backbone interact. energy: -0.086
local terms energy: -88.743794
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -21.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -220.924729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.924729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.924729 (E_RNA)
where:
Base-Base interactions energy: -139.729
where: short stacking energy: -55.503
Base-Backbone interact. energy: -0.072
local terms energy: -81.123648
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -16.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -212.297484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.297484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.297484 (E_RNA)
where:
Base-Base interactions energy: -139.682
where: short stacking energy: -67.230
Base-Backbone interact. energy: -0.084
local terms energy: -72.531731
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -222.204009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.204009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.204009 (E_RNA)
where:
Base-Base interactions energy: -142.354
where: short stacking energy: -59.429
Base-Backbone interact. energy: -0.247
local terms energy: -79.602692
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -12.682
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: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -132.683971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.683971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.683971 (E_RNA)
where:
Base-Base interactions energy: -73.963
where: short stacking energy: -44.772
Base-Backbone interact. energy: -1.023
local terms energy: -57.698232
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -4.220
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: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -99.302562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.302562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.302562 (E_RNA)
where:
Base-Base interactions energy: -37.259
where: short stacking energy: -36.382
Base-Backbone interact. energy: -0.089
local terms energy: -61.954635
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -6.926
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: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -84.663585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.663585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.663585 (E_RNA)
where:
Base-Base interactions energy: -35.347
where: short stacking energy: -26.764
Base-Backbone interact. energy: -0.120
local terms energy: -49.196183
where:
bonds (distance) C4'-P energy: -8.602
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -293.861837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.861837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.861837 (E_RNA)
where:
Base-Base interactions energy: -199.813
where: short stacking energy: -79.309
Base-Backbone interact. energy: -0.099
local terms energy: -93.950605
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -24.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -285.555945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.555945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.555945 (E_RNA)
where:
Base-Base interactions energy: -189.328
where: short stacking energy: -84.628
Base-Backbone interact. energy: -0.022
local terms energy: -96.205718
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -20.934
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -27.979
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: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -289.072318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.072318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.072318 (E_RNA)
where:
Base-Base interactions energy: -201.497
where: short stacking energy: -80.249
Base-Backbone interact. energy: -0.291
local terms energy: -87.284229
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -24.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -280.481225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.481225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.481225 (E_RNA)
where:
Base-Base interactions energy: -194.200
where: short stacking energy: -82.174
Base-Backbone interact. energy: -0.016
local terms energy: -86.265327
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -22.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -228.897311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.897311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.897311 (E_RNA)
where:
Base-Base interactions energy: -149.393
where: short stacking energy: -72.251
Base-Backbone interact. energy: -0.011
local terms energy: -79.493171
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -19.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -233.716393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.716393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.716393 (E_RNA)
where:
Base-Base interactions energy: -161.880
where: short stacking energy: -62.337
Base-Backbone interact. energy: -0.576
local terms energy: -71.260608
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -11.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -214.180663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.180663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.180663 (E_RNA)
where:
Base-Base interactions energy: -129.384
where: short stacking energy: -60.391
Base-Backbone interact. energy: -0.263
local terms energy: -84.533413
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -20.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -92.994398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.994398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.994398 (E_RNA)
where:
Base-Base interactions energy: -36.771
where: short stacking energy: -36.771
Base-Backbone interact. energy: -0.140
local terms energy: -56.083740
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -1.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -89.268766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.268766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.268766 (E_RNA)
where:
Base-Base interactions energy: -25.797
where: short stacking energy: -23.352
Base-Backbone interact. energy: -0.171
local terms energy: -63.301074
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -117.776390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.776390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.776390 (E_RNA)
where:
Base-Base interactions energy: -58.955
where: short stacking energy: -27.945
Base-Backbone interact. energy: 1.650
local terms energy: -60.471477
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -2.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -287.740181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.740181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.740181 (E_RNA)
where:
Base-Base interactions energy: -183.429
where: short stacking energy: -93.553
Base-Backbone interact. energy: -0.046
local terms energy: -104.265168
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -28.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -286.718582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.718582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.718582 (E_RNA)
where:
Base-Base interactions energy: -189.574
where: short stacking energy: -83.589
Base-Backbone interact. energy: -0.006
local terms energy: -97.138576
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -27.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -289.146398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.146398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.146398 (E_RNA)
where:
Base-Base interactions energy: -197.358
where: short stacking energy: -84.167
Base-Backbone interact. energy: -0.206
local terms energy: -91.582524
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -15.266
tors. eta vs tors. theta energy: -23.887
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: 9
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -273.250250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.250250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.250250 (E_RNA)
where:
Base-Base interactions energy: -197.257
where: short stacking energy: -72.912
Base-Backbone interact. energy: 1.114
local terms energy: -77.107743
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -22.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -257.603192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.603192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.603192 (E_RNA)
where:
Base-Base interactions energy: -165.763
where: short stacking energy: -74.938
Base-Backbone interact. energy: -0.002
local terms energy: -91.838332
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -20.808
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -24.625
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: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -216.893280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.893280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.893280 (E_RNA)
where:
Base-Base interactions energy: -140.506
where: short stacking energy: -60.548
Base-Backbone interact. energy: 0.108
local terms energy: -76.494999
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -18.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -216.382092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.382092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.382092 (E_RNA)
where:
Base-Base interactions energy: -151.397
where: short stacking energy: -67.039
Base-Backbone interact. energy: -0.128
local terms energy: -64.856753
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -105.588286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.588286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.588286 (E_RNA)
where:
Base-Base interactions energy: -54.681
where: short stacking energy: -28.969
Base-Backbone interact. energy: 0.822
local terms energy: -51.729294
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: -0.699
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: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -97.249466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.249466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.249466 (E_RNA)
where:
Base-Base interactions energy: -40.404
where: short stacking energy: -35.023
Base-Backbone interact. energy: -0.130
local terms energy: -56.715792
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -3.648
tors. eta vs tors. theta energy: -3.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -100.503458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.503458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.503458 (E_RNA)
where:
Base-Base interactions energy: -39.335
where: short stacking energy: -33.574
Base-Backbone interact. energy: -0.274
local terms energy: -60.894134
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -1.356
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: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -293.246388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.246388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.246388 (E_RNA)
where:
Base-Base interactions energy: -198.553
where: short stacking energy: -95.863
Base-Backbone interact. energy: -0.002
local terms energy: -94.691907
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -28.509
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: 2, replica: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -288.210315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.210315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.210315 (E_RNA)
where:
Base-Base interactions energy: -190.032
where: short stacking energy: -81.610
Base-Backbone interact. energy: -0.380
local terms energy: -97.797920
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -26.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -283.470311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.470311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.470311 (E_RNA)
where:
Base-Base interactions energy: -188.249
where: short stacking energy: -82.761
Base-Backbone interact. energy: -0.073
local terms energy: -95.147722
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -19.609
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -27.382
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: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -255.282839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.282839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.282839 (E_RNA)
where:
Base-Base interactions energy: -173.544
where: short stacking energy: -80.243
Base-Backbone interact. energy: -0.325
local terms energy: -81.414039
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -23.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -265.616752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.616752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.616752 (E_RNA)
where:
Base-Base interactions energy: -183.353
where: short stacking energy: -65.408
Base-Backbone interact. energy: -0.114
local terms energy: -82.149745
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -24.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -219.281719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.281719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.281719 (E_RNA)
where:
Base-Base interactions energy: -135.645
where: short stacking energy: -58.172
Base-Backbone interact. energy: -0.061
local terms energy: -83.576162
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -15.509
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: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -218.808985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.808985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.808985 (E_RNA)
where:
Base-Base interactions energy: -150.999
where: short stacking energy: -61.881
Base-Backbone interact. energy: -0.182
local terms energy: -67.627831
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -13.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -103.538122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.538122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.538122 (E_RNA)
where:
Base-Base interactions energy: -40.798
where: short stacking energy: -38.295
Base-Backbone interact. energy: -0.072
local terms energy: -62.667454
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -106.056538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.056538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.056538 (E_RNA)
where:
Base-Base interactions energy: -37.438
where: short stacking energy: -32.466
Base-Backbone interact. energy: -0.342
local terms energy: -68.275961
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -8.868
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: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -83.277145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.277145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.277145 (E_RNA)
where:
Base-Base interactions energy: -27.790
where: short stacking energy: -17.946
Base-Backbone interact. energy: -0.574
local terms energy: -54.912777
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: 1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -309.371292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.371292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.371292 (E_RNA)
where:
Base-Base interactions energy: -208.818
where: short stacking energy: -89.264
Base-Backbone interact. energy: -0.222
local terms energy: -100.330944
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -21.781
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -27.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -290.482194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.482194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.482194 (E_RNA)
where:
Base-Base interactions energy: -197.551
where: short stacking energy: -85.541
Base-Backbone interact. energy: -0.162
local terms energy: -92.769390
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -18.388
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -25.577
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: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -290.121218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.121218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.121218 (E_RNA)
where:
Base-Base interactions energy: -199.488
where: short stacking energy: -88.916
Base-Backbone interact. energy: -0.105
local terms energy: -90.528442
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -17.369
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -28.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -274.908778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.908778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.908778 (E_RNA)
where:
Base-Base interactions energy: -189.923
where: short stacking energy: -75.877
Base-Backbone interact. energy: 0.370
local terms energy: -85.355266
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -21.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -227.084459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.084459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.084459 (E_RNA)
where:
Base-Base interactions energy: -149.389
where: short stacking energy: -65.526
Base-Backbone interact. energy: 0.575
local terms energy: -78.270452
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -15.444
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: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -242.913760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.913760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.913760 (E_RNA)
where:
Base-Base interactions energy: -165.451
where: short stacking energy: -68.067
Base-Backbone interact. energy: -0.135
local terms energy: -77.327196
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -17.222
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: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -213.169919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.169919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.169919 (E_RNA)
where:
Base-Base interactions energy: -132.710
where: short stacking energy: -58.447
Base-Backbone interact. energy: -0.062
local terms energy: -80.398238
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -13.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -108.094059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.094059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.094059 (E_RNA)
where:
Base-Base interactions energy: -44.935
where: short stacking energy: -28.721
Base-Backbone interact. energy: -0.445
local terms energy: -62.714118
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -10.150
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: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -123.738900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.738900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.738900 (E_RNA)
where:
Base-Base interactions energy: -71.956
where: short stacking energy: -30.928
Base-Backbone interact. energy: -0.339
local terms energy: -51.444240
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -11.868
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -95.866153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.866153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.866153 (E_RNA)
where:
Base-Base interactions energy: -34.654
where: short stacking energy: -31.011
Base-Backbone interact. energy: -0.233
local terms energy: -60.978462
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -7.507
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -301.696817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.696817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.696817 (E_RNA)
where:
Base-Base interactions energy: -209.851
where: short stacking energy: -90.736
Base-Backbone interact. energy: -0.101
local terms energy: -91.745236
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -27.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -283.520157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.520157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.520157 (E_RNA)
where:
Base-Base interactions energy: -196.653
where: short stacking energy: -83.089
Base-Backbone interact. energy: 0.362
local terms energy: -87.229443
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -21.093
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -21.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -260.823308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.823308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.823308 (E_RNA)
where:
Base-Base interactions energy: -177.736
where: short stacking energy: -71.574
Base-Backbone interact. energy: -1.680
local terms energy: -81.406472
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -225.117130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.117130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.117130 (E_RNA)
where:
Base-Base interactions energy: -139.790
where: short stacking energy: -61.584
Base-Backbone interact. energy: -0.506
local terms energy: -84.821452
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -17.959
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: 5
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -272.887229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.887229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.887229 (E_RNA)
where:
Base-Base interactions energy: -190.738
where: short stacking energy: -79.806
Base-Backbone interact. energy: -0.054
local terms energy: -82.094861
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -19.090
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -7.922
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: 6, replica: 8
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -216.162185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.162185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.162185 (E_RNA)
where:
Base-Base interactions energy: -142.728
where: short stacking energy: -61.876
Base-Backbone interact. energy: 0.666
local terms energy: -74.099663
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -222.923354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.923354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.923354 (E_RNA)
where:
Base-Base interactions energy: -145.071
where: short stacking energy: -63.523
Base-Backbone interact. energy: -0.101
local terms energy: -77.751051
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -114.096364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.096364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.096364 (E_RNA)
where:
Base-Base interactions energy: -54.751
where: short stacking energy: -32.174
Base-Backbone interact. energy: 2.566
local terms energy: -61.911629
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: 0.709
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: 1
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -93.391027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.391027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.391027 (E_RNA)
where:
Base-Base interactions energy: -34.711
where: short stacking energy: -27.010
Base-Backbone interact. energy: 1.116
local terms energy: -59.795913
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: 0.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -89.965685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.965685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.965685 (E_RNA)
where:
Base-Base interactions energy: -34.439
where: short stacking energy: -33.914
Base-Backbone interact. energy: -0.336
local terms energy: -55.190258
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -294.915918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.915918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.915918 (E_RNA)
where:
Base-Base interactions energy: -202.815
where: short stacking energy: -84.799
Base-Backbone interact. energy: -0.094
local terms energy: -92.007013
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -19.388
flat angles P-C4'-P energy: -16.815
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: 2, replica: 10
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -300.307784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.307784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.307784 (E_RNA)
where:
Base-Base interactions energy: -208.588
where: short stacking energy: -86.791
Base-Backbone interact. energy: -0.071
local terms energy: -91.649114
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -27.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -273.391509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.391509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.391509 (E_RNA)
where:
Base-Base interactions energy: -183.869
where: short stacking energy: -80.212
Base-Backbone interact. energy: -1.582
local terms energy: -87.939908
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -22.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -238.132704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.132704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.132704 (E_RNA)
where:
Base-Base interactions energy: -148.663
where: short stacking energy: -70.869
Base-Backbone interact. energy: -0.007
local terms energy: -89.462517
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -20.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -246.090557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.090557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.090557 (E_RNA)
where:
Base-Base interactions energy: -162.860
where: short stacking energy: -69.212
Base-Backbone interact. energy: 1.056
local terms energy: -84.286899
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -17.841
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: 6, replica: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -208.545192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.545192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.545192 (E_RNA)
where:
Base-Base interactions energy: -132.016
where: short stacking energy: -60.281
Base-Backbone interact. energy: -0.046
local terms energy: -76.483236
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -15.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -218.338290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.338290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.338290 (E_RNA)
where:
Base-Base interactions energy: -140.724
where: short stacking energy: -47.228
Base-Backbone interact. energy: -0.077
local terms energy: -77.536708
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -13.374
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: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -92.373713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.373713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.373713 (E_RNA)
where:
Base-Base interactions energy: -43.368
where: short stacking energy: -24.703
Base-Backbone interact. energy: -0.541
local terms energy: -48.464841
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: 0.886
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: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -91.464120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.464120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.464120 (E_RNA)
where:
Base-Base interactions energy: -29.236
where: short stacking energy: -29.236
Base-Backbone interact. energy: -0.087
local terms energy: -62.141466
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -80.743315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.743315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.743315 (E_RNA)
where:
Base-Base interactions energy: -25.515
where: short stacking energy: -18.359
Base-Backbone interact. energy: 0.869
local terms energy: -56.096536
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -5.314
tors. eta vs tors. theta energy: 0.180
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: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -299.383159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.383159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.383159 (E_RNA)
where:
Base-Base interactions energy: -207.489
where: short stacking energy: -92.568
Base-Backbone interact. energy: -0.105
local terms energy: -91.788729
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -10.851
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: 2, replica: 10
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -295.393205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.393205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.393205 (E_RNA)
where:
Base-Base interactions energy: -192.160
where: short stacking energy: -90.965
Base-Backbone interact. energy: -0.214
local terms energy: -103.019035
where:
bonds (distance) C4'-P energy: -19.239
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -13.886
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: 3, replica: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -283.077653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.077653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.077653 (E_RNA)
where:
Base-Base interactions energy: -189.745
where: short stacking energy: -84.175
Base-Backbone interact. energy: -0.120
local terms energy: -93.212681
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -23.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -274.341602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.341602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.341602 (E_RNA)
where:
Base-Base interactions energy: -195.920
where: short stacking energy: -79.547
Base-Backbone interact. energy: -0.132
local terms energy: -78.289534
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -22.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -259.688726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.688726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.688726 (E_RNA)
where:
Base-Base interactions energy: -171.904
where: short stacking energy: -83.901
Base-Backbone interact. energy: 2.407
local terms energy: -90.190960
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -26.369
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: 9
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -220.651104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.651104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.651104 (E_RNA)
where:
Base-Base interactions energy: -149.664
where: short stacking energy: -58.011
Base-Backbone interact. energy: 1.419
local terms energy: -72.405474
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -15.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -218.362820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.362820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.362820 (E_RNA)
where:
Base-Base interactions energy: -140.401
where: short stacking energy: -60.863
Base-Backbone interact. energy: -0.685
local terms energy: -77.276668
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -19.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -101.871437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.871437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.871437 (E_RNA)
where:
Base-Base interactions energy: -36.590
where: short stacking energy: -25.398
Base-Backbone interact. energy: -1.322
local terms energy: -63.959504
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -3.322
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: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -98.271084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.271084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.271084 (E_RNA)
where:
Base-Base interactions energy: -33.862
where: short stacking energy: -31.302
Base-Backbone interact. energy: -0.251
local terms energy: -64.157780
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -1.995
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: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -83.376572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.376572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.376572 (E_RNA)
where:
Base-Base interactions energy: -29.188
where: short stacking energy: -24.240
Base-Backbone interact. energy: -0.249
local terms energy: -53.939481
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: 2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -294.955124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.955124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.955124 (E_RNA)
where:
Base-Base interactions energy: -203.381
where: short stacking energy: -84.696
Base-Backbone interact. energy: -0.153
local terms energy: -91.420785
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -22.098
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: 130
Temperature: 0.950000
Total energy: -289.707575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.707575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.707575 (E_RNA)
where:
Base-Base interactions energy: -201.947
where: short stacking energy: -83.750
Base-Backbone interact. energy: -1.156
local terms energy: -86.604433
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -21.265
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: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -281.553216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.553216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.553216 (E_RNA)
where:
Base-Base interactions energy: -187.562
where: short stacking energy: -81.479
Base-Backbone interact. energy: -0.261
local terms energy: -93.730749
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -25.232
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: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -271.165525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.165525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.165525 (E_RNA)
where:
Base-Base interactions energy: -175.702
where: short stacking energy: -76.393
Base-Backbone interact. energy: -0.348
local terms energy: -95.115697
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -25.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -220.717303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.717303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.717303 (E_RNA)
where:
Base-Base interactions energy: -144.516
where: short stacking energy: -59.755
Base-Backbone interact. energy: -0.159
local terms energy: -76.041636
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -15.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -244.621729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.621729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.621729 (E_RNA)
where:
Base-Base interactions energy: -160.446
where: short stacking energy: -72.614
Base-Backbone interact. energy: -0.480
local terms energy: -83.696140
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -23.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -207.607438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.607438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.607438 (E_RNA)
where:
Base-Base interactions energy: -121.872
where: short stacking energy: -52.408
Base-Backbone interact. energy: -0.240
local terms energy: -85.495018
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -107.071876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.071876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.071876 (E_RNA)
where:
Base-Base interactions energy: -49.515
where: short stacking energy: -33.027
Base-Backbone interact. energy: -0.051
local terms energy: -57.506562
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -9.519
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: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -98.250060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.250060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.250060 (E_RNA)
where:
Base-Base interactions energy: -38.973
where: short stacking energy: -31.451
Base-Backbone interact. energy: -0.422
local terms energy: -58.855301
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -0.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -90.436337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.436337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.436337 (E_RNA)
where:
Base-Base interactions energy: -29.309
where: short stacking energy: -27.456
Base-Backbone interact. energy: 0.698
local terms energy: -61.825675
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -2.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -294.500081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.500081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.500081 (E_RNA)
where:
Base-Base interactions energy: -197.121
where: short stacking energy: -81.108
Base-Backbone interact. energy: -0.356
local terms energy: -97.023107
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -25.289
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: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -292.649465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.649465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.649465 (E_RNA)
where:
Base-Base interactions energy: -200.356
where: short stacking energy: -93.091
Base-Backbone interact. energy: -0.021
local terms energy: -92.271700
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: -24.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -278.614706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.614706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.614706 (E_RNA)
where:
Base-Base interactions energy: -189.628
where: short stacking energy: -87.853
Base-Backbone interact. energy: -0.146
local terms energy: -88.841138
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: -23.683
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: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -271.971906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.971906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.971906 (E_RNA)
where:
Base-Base interactions energy: -184.568
where: short stacking energy: -79.853
Base-Backbone interact. energy: -0.272
local terms energy: -87.132190
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -25.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -206.889581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.889581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.889581 (E_RNA)
where:
Base-Base interactions energy: -135.269
where: short stacking energy: -62.972
Base-Backbone interact. energy: 0.830
local terms energy: -72.450055
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -14.582
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: 6, replica: 9
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -234.601068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.601068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.601068 (E_RNA)
where:
Base-Base interactions energy: -162.262
where: short stacking energy: -70.258
Base-Backbone interact. energy: 0.746
local terms energy: -73.085108
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -20.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -201.541817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.541817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.541817 (E_RNA)
where:
Base-Base interactions energy: -130.779
where: short stacking energy: -64.999
Base-Backbone interact. energy: -0.211
local terms energy: -70.551826
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -20.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -89.402006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.402006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.402006 (E_RNA)
where:
Base-Base interactions energy: -27.240
where: short stacking energy: -27.240
Base-Backbone interact. energy: -0.245
local terms energy: -61.917086
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -20.209
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: 2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -126.311457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.311457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.311457 (E_RNA)
where:
Base-Base interactions energy: -57.684
where: short stacking energy: -48.230
Base-Backbone interact. energy: -0.069
local terms energy: -68.559183
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -9.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -86.955758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.955758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.955758 (E_RNA)
where:
Base-Base interactions energy: -28.338
where: short stacking energy: -28.101
Base-Backbone interact. energy: -0.116
local terms energy: -58.501798
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -9.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -299.783333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.783333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.783333 (E_RNA)
where:
Base-Base interactions energy: -210.691
where: short stacking energy: -88.350
Base-Backbone interact. energy: -0.077
local terms energy: -89.015964
where:
bonds (distance) C4'-P energy: -19.681
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -21.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -292.301810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.301810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.301810 (E_RNA)
where:
Base-Base interactions energy: -199.027
where: short stacking energy: -88.823
Base-Backbone interact. energy: -0.065
local terms energy: -93.210034
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -27.190
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: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -256.745810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.745810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.745810 (E_RNA)
where:
Base-Base interactions energy: -167.981
where: short stacking energy: -73.174
Base-Backbone interact. energy: 0.095
local terms energy: -88.859356
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -20.698
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -20.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -268.901800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.901800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.901800 (E_RNA)
where:
Base-Base interactions energy: -180.118
where: short stacking energy: -85.067
Base-Backbone interact. energy: -0.028
local terms energy: -88.754974
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -27.732
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: 9
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -231.493770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.493770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.493770 (E_RNA)
where:
Base-Base interactions energy: -149.299
where: short stacking energy: -64.538
Base-Backbone interact. energy: -0.003
local terms energy: -82.191931
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -19.485
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: 6, replica: 2
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -228.431413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.431413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.431413 (E_RNA)
where:
Base-Base interactions energy: -146.795
where: short stacking energy: -65.238
Base-Backbone interact. energy: -0.006
local terms energy: -81.629640
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -20.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -207.790751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.790751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.790751 (E_RNA)
where:
Base-Base interactions energy: -133.871
where: short stacking energy: -58.932
Base-Backbone interact. energy: 0.070
local terms energy: -73.988795
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -12.543
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: 8, replica: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -114.180356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.180356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.180356 (E_RNA)
where:
Base-Base interactions energy: -58.680
where: short stacking energy: -39.400
Base-Backbone interact. energy: -0.092
local terms energy: -55.409128
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -5.013
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -9.828
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: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -96.852197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.852197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.852197 (E_RNA)
where:
Base-Base interactions energy: -38.874
where: short stacking energy: -30.807
Base-Backbone interact. energy: 0.810
local terms energy: -58.787741
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -17.314
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -84.465578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.465578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.465578 (E_RNA)
where:
Base-Base interactions energy: -23.226
where: short stacking energy: -23.226
Base-Backbone interact. energy: -0.475
local terms energy: -60.764925
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -302.523307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.523307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.523307 (E_RNA)
where:
Base-Base interactions energy: -207.429
where: short stacking energy: -88.237
Base-Backbone interact. energy: -0.204
local terms energy: -94.890095
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -22.538
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -23.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -290.114542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.114542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.114542 (E_RNA)
where:
Base-Base interactions energy: -195.842
where: short stacking energy: -85.748
Base-Backbone interact. energy: -0.182
local terms energy: -94.090848
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -23.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -251.277197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.277197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.277197 (E_RNA)
where:
Base-Base interactions energy: -163.764
where: short stacking energy: -80.472
Base-Backbone interact. energy: -0.030
local terms energy: -87.483206
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -10.958
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: 4, replica: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -274.514865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.514865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.514865 (E_RNA)
where:
Base-Base interactions energy: -182.908
where: short stacking energy: -89.460
Base-Backbone interact. energy: -0.098
local terms energy: -91.509726
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -25.260
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: 133
Temperature: 1.100000
Total energy: -246.207760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.207760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.207760 (E_RNA)
where:
Base-Base interactions energy: -157.755
where: short stacking energy: -79.562
Base-Backbone interact. energy: -0.261
local terms energy: -88.191502
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -24.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -235.800334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.800334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.800334 (E_RNA)
where:
Base-Base interactions energy: -156.648
where: short stacking energy: -69.424
Base-Backbone interact. energy: -0.840
local terms energy: -78.312348
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -17.522
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -204.263221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.263221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.263221 (E_RNA)
where:
Base-Base interactions energy: -132.134
where: short stacking energy: -60.873
Base-Backbone interact. energy: -0.096
local terms energy: -72.033451
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -106.582829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.582829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.582829 (E_RNA)
where:
Base-Base interactions energy: -43.239
where: short stacking energy: -19.392
Base-Backbone interact. energy: -1.303
local terms energy: -62.041111
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -2.960
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: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -106.311003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.311003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.311003 (E_RNA)
where:
Base-Base interactions energy: -43.617
where: short stacking energy: -33.677
Base-Backbone interact. energy: -0.101
local terms energy: -62.592475
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -8.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -89.920739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.920739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.920739 (E_RNA)
where:
Base-Base interactions energy: -36.437
where: short stacking energy: -14.971
Base-Backbone interact. energy: -0.234
local terms energy: -53.249688
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -1.440
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: 134
Temperature: 0.900000
Total energy: -296.030357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.030357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.030357 (E_RNA)
where:
Base-Base interactions energy: -202.437
where: short stacking energy: -84.361
Base-Backbone interact. energy: -0.194
local terms energy: -93.399273
where:
bonds (distance) C4'-P energy: -20.004
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -23.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -295.224961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.224961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.224961 (E_RNA)
where:
Base-Base interactions energy: -198.919
where: short stacking energy: -89.482
Base-Backbone interact. energy: -0.095
local terms energy: -96.211232
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -26.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -277.862076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.862076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.862076 (E_RNA)
where:
Base-Base interactions energy: -188.594
where: short stacking energy: -79.584
Base-Backbone interact. energy: 0.511
local terms energy: -89.779099
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -20.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -261.142726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.142726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.142726 (E_RNA)
where:
Base-Base interactions energy: -169.159
where: short stacking energy: -75.712
Base-Backbone interact. energy: -0.170
local terms energy: -91.813923
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -209.937626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.937626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.937626 (E_RNA)
where:
Base-Base interactions energy: -128.778
where: short stacking energy: -63.809
Base-Backbone interact. energy: -0.058
local terms energy: -81.101817
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -14.172
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: 2
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -217.094386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.094386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.094386 (E_RNA)
where:
Base-Base interactions energy: -137.990
where: short stacking energy: -62.281
Base-Backbone interact. energy: -0.100
local terms energy: -79.005226
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -17.495
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: 7, replica: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -215.853947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.853947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.853947 (E_RNA)
where:
Base-Base interactions energy: -139.693
where: short stacking energy: -63.527
Base-Backbone interact. energy: 0.701
local terms energy: -76.861956
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -19.981
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -15.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -112.733522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.733522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.733522 (E_RNA)
where:
Base-Base interactions energy: -70.370
where: short stacking energy: -23.838
Base-Backbone interact. energy: -0.319
local terms energy: -42.044522
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -0.716
tors. eta vs tors. theta energy: 1.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -89.733180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.733180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.733180 (E_RNA)
where:
Base-Base interactions energy: -30.672
where: short stacking energy: -26.043
Base-Backbone interact. energy: 1.957
local terms energy: -61.017715
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -102.132876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.132876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.132876 (E_RNA)
where:
Base-Base interactions energy: -31.207
where: short stacking energy: -30.285
Base-Backbone interact. energy: 0.465
local terms energy: -71.391045
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -293.016782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.016782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.016782 (E_RNA)
where:
Base-Base interactions energy: -196.286
where: short stacking energy: -88.640
Base-Backbone interact. energy: -0.736
local terms energy: -95.994865
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -23.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -283.668422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.668422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.668422 (E_RNA)
where:
Base-Base interactions energy: -195.900
where: short stacking energy: -82.109
Base-Backbone interact. energy: -0.590
local terms energy: -87.178033
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -19.784
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: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -292.046528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.046528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.046528 (E_RNA)
where:
Base-Base interactions energy: -195.835
where: short stacking energy: -78.909
Base-Backbone interact. energy: -0.171
local terms energy: -96.040493
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -24.748
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: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -265.052149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.052149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.052149 (E_RNA)
where:
Base-Base interactions energy: -181.088
where: short stacking energy: -77.237
Base-Backbone interact. energy: -0.054
local terms energy: -83.909936
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -218.714723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.714723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.714723 (E_RNA)
where:
Base-Base interactions energy: -143.796
where: short stacking energy: -71.626
Base-Backbone interact. energy: -0.014
local terms energy: -74.905380
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -222.031861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.031861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.031861 (E_RNA)
where:
Base-Base interactions energy: -146.355
where: short stacking energy: -65.631
Base-Backbone interact. energy: 0.424
local terms energy: -76.100570
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -15.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -225.677238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.677238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.677238 (E_RNA)
where:
Base-Base interactions energy: -150.149
where: short stacking energy: -68.576
Base-Backbone interact. energy: -0.002
local terms energy: -75.526421
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -18.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -93.184395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.184395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.184395 (E_RNA)
where:
Base-Base interactions energy: -38.089
where: short stacking energy: -38.089
Base-Backbone interact. energy: -0.307
local terms energy: -54.788453
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -84.787293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.787293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.787293 (E_RNA)
where:
Base-Base interactions energy: -28.044
where: short stacking energy: -24.994
Base-Backbone interact. energy: -1.802
local terms energy: -54.941750
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: 4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -85.488495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.488495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.488495 (E_RNA)
where:
Base-Base interactions energy: -28.483
where: short stacking energy: -27.619
Base-Backbone interact. energy: -0.151
local terms energy: -56.854622
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -299.584496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.584496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.584496 (E_RNA)
where:
Base-Base interactions energy: -209.708
where: short stacking energy: -83.184
Base-Backbone interact. energy: -0.563
local terms energy: -89.313340
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -22.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -290.415434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.415434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.415434 (E_RNA)
where:
Base-Base interactions energy: -195.372
where: short stacking energy: -85.307
Base-Backbone interact. energy: -0.145
local terms energy: -94.898688
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -23.171
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: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -292.291925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.291925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.291925 (E_RNA)
where:
Base-Base interactions energy: -199.610
where: short stacking energy: -79.123
Base-Backbone interact. energy: -0.406
local terms energy: -92.276029
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -23.085
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: 136
Temperature: 1.050000
Total energy: -270.338518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.338518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.338518 (E_RNA)
where:
Base-Base interactions energy: -182.156
where: short stacking energy: -85.362
Base-Backbone interact. energy: -0.199
local terms energy: -87.984222
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -23.957
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: 9
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -233.379338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.379338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.379338 (E_RNA)
where:
Base-Base interactions energy: -141.597
where: short stacking energy: -66.593
Base-Backbone interact. energy: -0.006
local terms energy: -91.776439
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -21.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -226.135098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.135098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.135098 (E_RNA)
where:
Base-Base interactions energy: -146.079
where: short stacking energy: -68.384
Base-Backbone interact. energy: -0.095
local terms energy: -79.960429
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -17.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -209.917970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.917970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.917970 (E_RNA)
where:
Base-Base interactions energy: -139.453
where: short stacking energy: -60.163
Base-Backbone interact. energy: 0.455
local terms energy: -70.919978
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -104.829178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.829178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.829178 (E_RNA)
where:
Base-Base interactions energy: -45.775
where: short stacking energy: -28.778
Base-Backbone interact. energy: -0.151
local terms energy: -58.903230
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -6.652
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: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -105.412444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.412444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.412444 (E_RNA)
where:
Base-Base interactions energy: -45.310
where: short stacking energy: -28.304
Base-Backbone interact. energy: -0.364
local terms energy: -59.738533
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -1.878
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: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -86.866950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.866950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.866950 (E_RNA)
where:
Base-Base interactions energy: -27.773
where: short stacking energy: -22.121
Base-Backbone interact. energy: -0.226
local terms energy: -58.868081
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -10.319
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: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -301.688218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.688218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.688218 (E_RNA)
where:
Base-Base interactions energy: -214.988
where: short stacking energy: -81.007
Base-Backbone interact. energy: -0.387
local terms energy: -86.313243
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -20.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -285.457650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.457650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.457650 (E_RNA)
where:
Base-Base interactions energy: -188.645
where: short stacking energy: -86.250
Base-Backbone interact. energy: -0.003
local terms energy: -96.810006
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -29.541
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: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -277.769170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.769170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.769170 (E_RNA)
where:
Base-Base interactions energy: -186.332
where: short stacking energy: -74.650
Base-Backbone interact. energy: 0.396
local terms energy: -91.833261
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -22.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -238.570957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.570957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.570957 (E_RNA)
where:
Base-Base interactions energy: -155.791
where: short stacking energy: -73.975
Base-Backbone interact. energy: -0.012
local terms energy: -82.767332
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -21.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -270.000264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.000264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.000264 (E_RNA)
where:
Base-Base interactions energy: -181.327
where: short stacking energy: -72.079
Base-Backbone interact. energy: -0.446
local terms energy: -88.227932
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -220.259594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.259594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.259594 (E_RNA)
where:
Base-Base interactions energy: -141.221
where: short stacking energy: -65.100
Base-Backbone interact. energy: -0.324
local terms energy: -78.714108
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -15.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -212.893557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.893557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.893557 (E_RNA)
where:
Base-Base interactions energy: -138.746
where: short stacking energy: -61.651
Base-Backbone interact. energy: -0.078
local terms energy: -74.070290
where:
bonds (distance) C4'-P energy: -9.770
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -19.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -101.470339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.470339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.470339 (E_RNA)
where:
Base-Base interactions energy: -41.089
where: short stacking energy: -40.391
Base-Backbone interact. energy: -0.100
local terms energy: -60.281999
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -8.790
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -9.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -82.384301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.384301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.384301 (E_RNA)
where:
Base-Base interactions energy: -37.414
where: short stacking energy: -25.117
Base-Backbone interact. energy: 0.005
local terms energy: -44.975277
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -4.238
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: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -94.212968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.212968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.212968 (E_RNA)
where:
Base-Base interactions energy: -28.512
where: short stacking energy: -24.318
Base-Backbone interact. energy: -1.568
local terms energy: -64.132876
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -284.966076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.966076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.966076 (E_RNA)
where:
Base-Base interactions energy: -184.513
where: short stacking energy: -84.206
Base-Backbone interact. energy: -0.047
local terms energy: -100.406172
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -25.807
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: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -278.837122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.837122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.837122 (E_RNA)
where:
Base-Base interactions energy: -185.888
where: short stacking energy: -82.711
Base-Backbone interact. energy: -0.165
local terms energy: -92.784560
where:
bonds (distance) C4'-P energy: -20.347
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -24.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -280.254920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.254920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.254920 (E_RNA)
where:
Base-Base interactions energy: -187.498
where: short stacking energy: -78.622
Base-Backbone interact. energy: -0.088
local terms energy: -92.669356
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -27.362
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: 4, replica: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -227.329370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.329370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.329370 (E_RNA)
where:
Base-Base interactions energy: -147.587
where: short stacking energy: -69.316
Base-Backbone interact. energy: -0.009
local terms energy: -79.733693
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -18.307
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -220.403627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.403627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.403627 (E_RNA)
where:
Base-Base interactions energy: -136.646
where: short stacking energy: -62.154
Base-Backbone interact. energy: -0.242
local terms energy: -83.515477
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -14.569
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: 6, replica: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -263.907518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.907518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.907518 (E_RNA)
where:
Base-Base interactions energy: -177.431
where: short stacking energy: -75.268
Base-Backbone interact. energy: -0.046
local terms energy: -86.430776
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -15.908
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: 7, replica: 8
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -222.926420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.926420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.926420 (E_RNA)
where:
Base-Base interactions energy: -145.123
where: short stacking energy: -67.450
Base-Backbone interact. energy: -0.042
local terms energy: -77.761713
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -21.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -98.440103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.440103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.440103 (E_RNA)
where:
Base-Base interactions energy: -31.732
where: short stacking energy: -29.911
Base-Backbone interact. energy: -0.122
local terms energy: -66.586113
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -4.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -144.053232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.053232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.053232 (E_RNA)
where:
Base-Base interactions energy: -89.041
where: short stacking energy: -40.378
Base-Backbone interact. energy: -0.128
local terms energy: -54.884439
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -99.460417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.460417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.460417 (E_RNA)
where:
Base-Base interactions energy: -45.405
where: short stacking energy: -37.074
Base-Backbone interact. energy: -0.190
local terms energy: -53.865064
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -6.104
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: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -295.007180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.007180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.007180 (E_RNA)
where:
Base-Base interactions energy: -202.804
where: short stacking energy: -78.898
Base-Backbone interact. energy: -0.694
local terms energy: -91.508974
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -21.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -285.156530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.156530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.156530 (E_RNA)
where:
Base-Base interactions energy: -192.662
where: short stacking energy: -90.943
Base-Backbone interact. energy: -0.235
local terms energy: -92.259337
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -25.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -279.528309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.528309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.528309 (E_RNA)
where:
Base-Base interactions energy: -186.257
where: short stacking energy: -79.547
Base-Backbone interact. energy: -0.762
local terms energy: -92.508730
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -24.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -243.581527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.581527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.581527 (E_RNA)
where:
Base-Base interactions energy: -163.558
where: short stacking energy: -65.117
Base-Backbone interact. energy: -0.235
local terms energy: -79.788642
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -20.430
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: 5, replica: 9
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -217.086174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.086174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.086174 (E_RNA)
where:
Base-Base interactions energy: -134.348
where: short stacking energy: -65.931
Base-Backbone interact. energy: -0.291
local terms energy: -82.447034
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -20.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -248.177553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.177553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.177553 (E_RNA)
where:
Base-Base interactions energy: -170.781
where: short stacking energy: -67.119
Base-Backbone interact. energy: 0.367
local terms energy: -77.764006
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -20.370
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: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -224.052933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.052933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.052933 (E_RNA)
where:
Base-Base interactions energy: -139.195
where: short stacking energy: -63.108
Base-Backbone interact. energy: -0.637
local terms energy: -84.220762
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -116.209218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.209218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.209218 (E_RNA)
where:
Base-Base interactions energy: -40.630
where: short stacking energy: -40.219
Base-Backbone interact. energy: -0.131
local terms energy: -75.447980
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -12.547
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: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -87.563347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.563347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.563347 (E_RNA)
where:
Base-Base interactions energy: -26.492
where: short stacking energy: -19.374
Base-Backbone interact. energy: -0.264
local terms energy: -60.807817
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -22.653
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: 0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -93.919805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.919805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.919805 (E_RNA)
where:
Base-Base interactions energy: -32.170
where: short stacking energy: -28.726
Base-Backbone interact. energy: -0.246
local terms energy: -61.504016
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -6.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -296.458687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.458687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.458687 (E_RNA)
where:
Base-Base interactions energy: -197.682
where: short stacking energy: -80.525
Base-Backbone interact. energy: -0.196
local terms energy: -98.580629
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -27.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -285.427238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.427238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.427238 (E_RNA)
where:
Base-Base interactions energy: -197.489
where: short stacking energy: -85.374
Base-Backbone interact. energy: -0.006
local terms energy: -87.932969
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -24.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -258.462305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.462305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.462305 (E_RNA)
where:
Base-Base interactions energy: -175.933
where: short stacking energy: -80.493
Base-Backbone interact. energy: -0.084
local terms energy: -82.444918
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -19.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -276.185922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.185922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.185922 (E_RNA)
where:
Base-Base interactions energy: -185.949
where: short stacking energy: -78.901
Base-Backbone interact. energy: -0.019
local terms energy: -90.217683
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -23.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -268.219057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.219057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.219057 (E_RNA)
where:
Base-Base interactions energy: -171.360
where: short stacking energy: -72.924
Base-Backbone interact. energy: 0.106
local terms energy: -96.965383
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -21.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -222.210524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.210524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.210524 (E_RNA)
where:
Base-Base interactions energy: -136.412
where: short stacking energy: -67.042
Base-Backbone interact. energy: -0.167
local terms energy: -85.631495
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -20.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -208.193534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.193534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.193534 (E_RNA)
where:
Base-Base interactions energy: -135.715
where: short stacking energy: -64.517
Base-Backbone interact. energy: 0.890
local terms energy: -73.368034
where:
bonds (distance) C4'-P energy: -20.398
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -15.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -98.520137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.520137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.520137 (E_RNA)
where:
Base-Base interactions energy: -38.323
where: short stacking energy: -32.138
Base-Backbone interact. energy: -0.212
local terms energy: -59.985458
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -4.118
tors. eta vs tors. theta energy: -2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -94.474933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.474933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.474933 (E_RNA)
where:
Base-Base interactions energy: -42.251
where: short stacking energy: -32.763
Base-Backbone interact. energy: 0.365
local terms energy: -52.589658
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: 0.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -78.745314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.745314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.745314 (E_RNA)
where:
Base-Base interactions energy: -24.009
where: short stacking energy: -19.780
Base-Backbone interact. energy: 0.221
local terms energy: -54.957382
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: 2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -296.607052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.607052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.607052 (E_RNA)
where:
Base-Base interactions energy: -204.638
where: short stacking energy: -86.683
Base-Backbone interact. energy: -0.097
local terms energy: -91.872077
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -24.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -291.651502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.651502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.651502 (E_RNA)
where:
Base-Base interactions energy: -204.691
where: short stacking energy: -86.821
Base-Backbone interact. energy: 0.864
local terms energy: -87.824107
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -16.341
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -255.908422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.908422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.908422 (E_RNA)
where:
Base-Base interactions energy: -171.828
where: short stacking energy: -64.212
Base-Backbone interact. energy: 0.702
local terms energy: -84.782126
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -14.916
tors. eta vs tors. theta energy: -20.425
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: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -267.140732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.140732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.140732 (E_RNA)
where:
Base-Base interactions energy: -178.899
where: short stacking energy: -71.595
Base-Backbone interact. energy: 0.649
local terms energy: -88.890718
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -13.639
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: 5, replica: 10
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -258.782595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.782595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.782595 (E_RNA)
where:
Base-Base interactions energy: -164.370
where: short stacking energy: -78.151
Base-Backbone interact. energy: 1.062
local terms energy: -95.474493
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -22.090
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -235.412217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.412217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.412217 (E_RNA)
where:
Base-Base interactions energy: -151.436
where: short stacking energy: -60.921
Base-Backbone interact. energy: -0.288
local terms energy: -83.688451
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -209.338230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.338230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.338230 (E_RNA)
where:
Base-Base interactions energy: -139.456
where: short stacking energy: -59.382
Base-Backbone interact. energy: -0.729
local terms energy: -69.153566
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -12.365
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: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -100.256028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.256028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.256028 (E_RNA)
where:
Base-Base interactions energy: -37.583
where: short stacking energy: -26.630
Base-Backbone interact. energy: 0.457
local terms energy: -63.129904
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -101.724284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.724284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.724284 (E_RNA)
where:
Base-Base interactions energy: -37.637
where: short stacking energy: -37.637
Base-Backbone interact. energy: -0.889
local terms energy: -63.198006
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -9.508
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: 141
Temperature: 1.350000
Total energy: -91.267793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.267793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.267793 (E_RNA)
where:
Base-Base interactions energy: -27.529
where: short stacking energy: -27.529
Base-Backbone interact. energy: 0.031
local terms energy: -63.769509
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -8.270
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: 1, replica: 5
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -295.677743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.677743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.677743 (E_RNA)
where:
Base-Base interactions energy: -211.008
where: short stacking energy: -91.067
Base-Backbone interact. energy: -0.055
local terms energy: -84.614031
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -26.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -285.143331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.143331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.143331 (E_RNA)
where:
Base-Base interactions energy: -198.896
where: short stacking energy: -79.358
Base-Backbone interact. energy: -0.955
local terms energy: -85.292768
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -20.581
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -24.120
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: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -280.557064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.557064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.557064 (E_RNA)
where:
Base-Base interactions energy: -187.512
where: short stacking energy: -94.245
Base-Backbone interact. energy: -0.065
local terms energy: -92.979737
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -19.434
flat angles C4'-P-C4' energy: -21.603
flat angles P-C4'-P energy: -15.726
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: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -250.255868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.255868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.255868 (E_RNA)
where:
Base-Base interactions energy: -162.691
where: short stacking energy: -77.379
Base-Backbone interact. energy: -0.831
local terms energy: -86.734424
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -23.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -252.481789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.481789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.481789 (E_RNA)
where:
Base-Base interactions energy: -168.989
where: short stacking energy: -70.543
Base-Backbone interact. energy: -0.004
local terms energy: -83.489540
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -19.275
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -20.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -217.188126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.188126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.188126 (E_RNA)
where:
Base-Base interactions energy: -144.893
where: short stacking energy: -63.526
Base-Backbone interact. energy: -0.117
local terms energy: -72.177975
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -13.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -213.269112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.269112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.269112 (E_RNA)
where:
Base-Base interactions energy: -137.684
where: short stacking energy: -66.979
Base-Backbone interact. energy: -0.003
local terms energy: -75.581960
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -19.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -119.953207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.953207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.953207 (E_RNA)
where:
Base-Base interactions energy: -58.999
where: short stacking energy: -26.852
Base-Backbone interact. energy: -0.455
local terms energy: -60.499602
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -6.642
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: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -87.808002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.808002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.808002 (E_RNA)
where:
Base-Base interactions energy: -37.846
where: short stacking energy: -36.339
Base-Backbone interact. energy: 0.390
local terms energy: -50.351511
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -91.707895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.707895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.707895 (E_RNA)
where:
Base-Base interactions energy: -33.361
where: short stacking energy: -33.361
Base-Backbone interact. energy: -0.021
local terms energy: -58.325876
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -3.642
tors. eta vs tors. theta energy: -4.217
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: 5
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -300.169451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.169451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.169451 (E_RNA)
where:
Base-Base interactions energy: -205.186
where: short stacking energy: -88.910
Base-Backbone interact. energy: -0.118
local terms energy: -94.865996
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -26.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -288.173887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.173887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.173887 (E_RNA)
where:
Base-Base interactions energy: -193.591
where: short stacking energy: -90.089
Base-Backbone interact. energy: -0.100
local terms energy: -94.483133
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -28.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -284.526813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.526813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.526813 (E_RNA)
where:
Base-Base interactions energy: -189.404
where: short stacking energy: -83.942
Base-Backbone interact. energy: -0.875
local terms energy: -94.248502
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -21.942
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -25.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -269.555812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.555812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.555812 (E_RNA)
where:
Base-Base interactions energy: -181.170
where: short stacking energy: -75.916
Base-Backbone interact. energy: -0.034
local terms energy: -88.351145
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -20.694
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -20.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -231.456495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.456495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.456495 (E_RNA)
where:
Base-Base interactions energy: -156.535
where: short stacking energy: -73.156
Base-Backbone interact. energy: -0.442
local terms energy: -74.479379
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -14.902
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: 8
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -204.128536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.128536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.128536 (E_RNA)
where:
Base-Base interactions energy: -125.009
where: short stacking energy: -65.678
Base-Backbone interact. energy: -0.233
local terms energy: -78.886401
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -19.827
flat angles P-C4'-P energy: -9.432
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: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -220.816588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.816588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.816588 (E_RNA)
where:
Base-Base interactions energy: -135.945
where: short stacking energy: -67.390
Base-Backbone interact. energy: -0.022
local terms energy: -84.848821
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -87.391233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.391233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.391233 (E_RNA)
where:
Base-Base interactions energy: -31.315
where: short stacking energy: -28.119
Base-Backbone interact. energy: -0.996
local terms energy: -55.079996
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -126.348050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.348050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.348050 (E_RNA)
where:
Base-Base interactions energy: -66.142
where: short stacking energy: -31.396
Base-Backbone interact. energy: 0.268
local terms energy: -60.474447
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -2.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -92.150403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.150403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.150403 (E_RNA)
where:
Base-Base interactions energy: -30.629
where: short stacking energy: -26.441
Base-Backbone interact. energy: -0.007
local terms energy: -61.514121
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -298.665952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.665952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.665952 (E_RNA)
where:
Base-Base interactions energy: -201.497
where: short stacking energy: -85.175
Base-Backbone interact. energy: -0.285
local terms energy: -96.884418
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -18.743
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -26.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -284.208804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.208804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.208804 (E_RNA)
where:
Base-Base interactions energy: -188.984
where: short stacking energy: -87.927
Base-Backbone interact. energy: -0.023
local terms energy: -95.201570
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -16.004
tors. eta vs tors. theta energy: -26.221
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: 10
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -274.150238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.150238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.150238 (E_RNA)
where:
Base-Base interactions energy: -181.253
where: short stacking energy: -80.858
Base-Backbone interact. energy: -0.003
local terms energy: -92.894083
where:
bonds (distance) C4'-P energy: -20.004
bonds (distance) P-C4' energy: -19.606
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -21.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -268.984782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.984782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.984782 (E_RNA)
where:
Base-Base interactions energy: -184.695
where: short stacking energy: -76.300
Base-Backbone interact. energy: -0.044
local terms energy: -84.246229
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -10.654
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: 5, replica: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -234.717290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.717290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.717290 (E_RNA)
where:
Base-Base interactions energy: -153.595
where: short stacking energy: -64.882
Base-Backbone interact. energy: 0.945
local terms energy: -82.067568
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -18.959
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: 144
Temperature: 1.150000
Total energy: -219.726490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.726490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.726490 (E_RNA)
where:
Base-Base interactions energy: -135.444
where: short stacking energy: -52.980
Base-Backbone interact. energy: -0.031
local terms energy: -84.251391
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -18.758
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -16.329
tors. eta vs tors. theta energy: -12.806
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: 144
Temperature: 1.200000
Total energy: -216.505325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.505325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.505325 (E_RNA)
where:
Base-Base interactions energy: -141.886
where: short stacking energy: -66.387
Base-Backbone interact. energy: -0.010
local terms energy: -74.610033
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -100.840362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.840362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.840362 (E_RNA)
where:
Base-Base interactions energy: -38.312
where: short stacking energy: -33.049
Base-Backbone interact. energy: -0.349
local terms energy: -62.179255
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -11.742
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -6.118
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: 4
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -96.356787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.356787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.356787 (E_RNA)
where:
Base-Base interactions energy: -31.149
where: short stacking energy: -32.749
Base-Backbone interact. energy: -0.164
local terms energy: -65.043985
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -109.546130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.546130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.546130 (E_RNA)
where:
Base-Base interactions energy: -54.901
where: short stacking energy: -24.982
Base-Backbone interact. energy: -0.288
local terms energy: -54.357847
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -301.748321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.748321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.748321 (E_RNA)
where:
Base-Base interactions energy: -210.837
where: short stacking energy: -82.977
Base-Backbone interact. energy: -0.108
local terms energy: -90.803144
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -26.533
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: 2, replica: 7
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -289.759765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.759765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.759765 (E_RNA)
where:
Base-Base interactions energy: -194.785
where: short stacking energy: -91.306
Base-Backbone interact. energy: -0.600
local terms energy: -94.374827
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -24.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -283.404033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.404033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.404033 (E_RNA)
where:
Base-Base interactions energy: -189.987
where: short stacking energy: -82.871
Base-Backbone interact. energy: -0.068
local terms energy: -93.349072
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -25.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -278.277718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.277718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.277718 (E_RNA)
where:
Base-Base interactions energy: -187.032
where: short stacking energy: -82.093
Base-Backbone interact. energy: -0.011
local terms energy: -91.234008
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -25.135
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: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -233.575007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.575007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.575007 (E_RNA)
where:
Base-Base interactions energy: -160.423
where: short stacking energy: -71.201
Base-Backbone interact. energy: -0.123
local terms energy: -73.029536
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -19.610
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: 9
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -223.108318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.108318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.108318 (E_RNA)
where:
Base-Base interactions energy: -148.376
where: short stacking energy: -65.164
Base-Backbone interact. energy: -0.005
local terms energy: -74.728098
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -214.471662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.471662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.471662 (E_RNA)
where:
Base-Base interactions energy: -144.779
where: short stacking energy: -67.857
Base-Backbone interact. energy: -0.004
local terms energy: -69.688241
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -7.482
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: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -106.852880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.852880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.852880 (E_RNA)
where:
Base-Base interactions energy: -42.706
where: short stacking energy: -40.808
Base-Backbone interact. energy: -0.472
local terms energy: -63.675045
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -103.374080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.374080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.374080 (E_RNA)
where:
Base-Base interactions energy: -37.343
where: short stacking energy: -36.527
Base-Backbone interact. energy: 0.595
local terms energy: -66.625564
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -6.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -117.565544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.565544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.565544 (E_RNA)
where:
Base-Base interactions energy: -62.828
where: short stacking energy: -33.847
Base-Backbone interact. energy: -0.200
local terms energy: -54.537634
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -3.944
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: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -297.197465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.197465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.197465 (E_RNA)
where:
Base-Base interactions energy: -210.400
where: short stacking energy: -86.164
Base-Backbone interact. energy: -0.015
local terms energy: -86.782344
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -26.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -289.600214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.600214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.600214 (E_RNA)
where:
Base-Base interactions energy: -187.305
where: short stacking energy: -89.210
Base-Backbone interact. energy: -0.060
local terms energy: -102.235522
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -21.196
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -27.829
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: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -271.544627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.544627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.544627 (E_RNA)
where:
Base-Base interactions energy: -175.942
where: short stacking energy: -74.233
Base-Backbone interact. energy: 0.117
local terms energy: -95.719469
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -25.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -277.223124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.223124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.223124 (E_RNA)
where:
Base-Base interactions energy: -185.959
where: short stacking energy: -85.086
Base-Backbone interact. energy: -0.030
local terms energy: -91.233597
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -19.747
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -26.244
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: 5, replica: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -218.280672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.280672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.280672 (E_RNA)
where:
Base-Base interactions energy: -141.458
where: short stacking energy: -60.797
Base-Backbone interact. energy: -0.125
local terms energy: -76.697069
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -13.648
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: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -219.330192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.330192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.330192 (E_RNA)
where:
Base-Base interactions energy: -136.167
where: short stacking energy: -64.821
Base-Backbone interact. energy: -0.294
local terms energy: -82.869451
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -13.212
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: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -225.229143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.229143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.229143 (E_RNA)
where:
Base-Base interactions energy: -139.153
where: short stacking energy: -64.821
Base-Backbone interact. energy: 1.035
local terms energy: -87.110588
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -18.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -115.174520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.174520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.174520 (E_RNA)
where:
Base-Base interactions energy: -63.299
where: short stacking energy: -27.597
Base-Backbone interact. energy: 3.453
local terms energy: -55.328303
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: 1.192
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: 9, replica: 1
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -100.170367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.170367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.170367 (E_RNA)
where:
Base-Base interactions energy: -39.747
where: short stacking energy: -30.701
Base-Backbone interact. energy: -0.109
local terms energy: -60.314943
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -4.999
tors. eta vs tors. theta energy: -4.943
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: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -107.957695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.957695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.957695 (E_RNA)
where:
Base-Base interactions energy: -42.186
where: short stacking energy: -38.278
Base-Backbone interact. energy: -0.025
local terms energy: -65.746771
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -4.930
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: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -302.892302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.892302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.892302 (E_RNA)
where:
Base-Base interactions energy: -201.016
where: short stacking energy: -80.891
Base-Backbone interact. energy: -0.113
local terms energy: -101.763770
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -27.854
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: 7
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -293.410652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.410652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.410652 (E_RNA)
where:
Base-Base interactions energy: -196.252
where: short stacking energy: -89.155
Base-Backbone interact. energy: -0.714
local terms energy: -96.444463
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -26.021
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: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -283.428909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.428909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.428909 (E_RNA)
where:
Base-Base interactions energy: -186.813
where: short stacking energy: -89.714
Base-Backbone interact. energy: -0.023
local terms energy: -96.592811
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -29.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -278.004998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.004998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.004998 (E_RNA)
where:
Base-Base interactions energy: -197.113
where: short stacking energy: -87.502
Base-Backbone interact. energy: -0.006
local terms energy: -80.886236
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -27.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -223.405038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.405038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.405038 (E_RNA)
where:
Base-Base interactions energy: -146.608
where: short stacking energy: -58.417
Base-Backbone interact. energy: -0.442
local terms energy: -76.355085
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -21.163
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -221.557993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.557993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.557993 (E_RNA)
where:
Base-Base interactions energy: -133.651
where: short stacking energy: -56.044
Base-Backbone interact. energy: -0.440
local terms energy: -87.467825
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -21.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -202.250747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.250747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.250747 (E_RNA)
where:
Base-Base interactions energy: -122.418
where: short stacking energy: -50.426
Base-Backbone interact. energy: -0.389
local terms energy: -79.443833
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -15.799
tors. eta vs tors. theta energy: -14.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -99.019786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.019786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.019786 (E_RNA)
where:
Base-Base interactions energy: -34.878
where: short stacking energy: -21.473
Base-Backbone interact. energy: -0.221
local terms energy: -63.920945
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -0.463
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: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -96.118875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.118875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.118875 (E_RNA)
where:
Base-Base interactions energy: -42.597
where: short stacking energy: -28.357
Base-Backbone interact. energy: 1.544
local terms energy: -55.065216
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -8.208
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -6.298
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: 10, replica: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -85.451247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.451247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.451247 (E_RNA)
where:
Base-Base interactions energy: -33.119
where: short stacking energy: -17.876
Base-Backbone interact. energy: 0.326
local terms energy: -52.657816
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -299.577965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.577965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.577965 (E_RNA)
where:
Base-Base interactions energy: -202.552
where: short stacking energy: -85.669
Base-Backbone interact. energy: -0.074
local terms energy: -96.951619
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -24.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -296.573336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.573336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.573336 (E_RNA)
where:
Base-Base interactions energy: -194.744
where: short stacking energy: -84.287
Base-Backbone interact. energy: -0.038
local terms energy: -101.791757
where:
bonds (distance) C4'-P energy: -19.830
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -22.202
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -26.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -281.326108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.326108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.326108 (E_RNA)
where:
Base-Base interactions energy: -185.625
where: short stacking energy: -88.830
Base-Backbone interact. energy: -0.002
local terms energy: -95.699110
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -16.668
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: 4, replica: 10
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -276.355305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.355305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.355305 (E_RNA)
where:
Base-Base interactions energy: -185.842
where: short stacking energy: -72.670
Base-Backbone interact. energy: 0.044
local terms energy: -90.557350
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -12.673
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: 5, replica: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -224.125731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.125731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.125731 (E_RNA)
where:
Base-Base interactions energy: -141.635
where: short stacking energy: -62.575
Base-Backbone interact. energy: -0.314
local terms energy: -82.176918
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -18.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -222.969594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.969594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.969594 (E_RNA)
where:
Base-Base interactions energy: -137.715
where: short stacking energy: -64.836
Base-Backbone interact. energy: -0.001
local terms energy: -85.254297
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -217.162442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.162442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.162442 (E_RNA)
where:
Base-Base interactions energy: -134.049
where: short stacking energy: -68.709
Base-Backbone interact. energy: -2.132
local terms energy: -80.981426
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -99.566045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.566045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.566045 (E_RNA)
where:
Base-Base interactions energy: -48.107
where: short stacking energy: -27.752
Base-Backbone interact. energy: 0.662
local terms energy: -52.120348
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -96.352035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.352035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.352035 (E_RNA)
where:
Base-Base interactions energy: -45.582
where: short stacking energy: -33.356
Base-Backbone interact. energy: 0.101
local terms energy: -50.870875
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -5.017
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -8.063
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: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -92.993166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.993166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.993166 (E_RNA)
where:
Base-Base interactions energy: -40.748
where: short stacking energy: -19.572
Base-Backbone interact. energy: -0.182
local terms energy: -52.062699
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -3.229
tors. eta vs tors. theta energy: -1.829
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: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -288.755243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.755243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.755243 (E_RNA)
where:
Base-Base interactions energy: -192.970
where: short stacking energy: -88.912
Base-Backbone interact. energy: 0.024
local terms energy: -95.809463
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -27.294
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: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -293.608611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.608611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.608611 (E_RNA)
where:
Base-Base interactions energy: -205.404
where: short stacking energy: -81.617
Base-Backbone interact. energy: -0.096
local terms energy: -88.108755
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -19.442
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -25.124
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: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -292.080608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.080608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.080608 (E_RNA)
where:
Base-Base interactions energy: -200.918
where: short stacking energy: -76.091
Base-Backbone interact. energy: -0.047
local terms energy: -91.116408
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -22.079
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: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -236.445168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.445168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.445168 (E_RNA)
where:
Base-Base interactions energy: -146.176
where: short stacking energy: -69.736
Base-Backbone interact. energy: 0.319
local terms energy: -90.588177
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -275.955867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.955867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.955867 (E_RNA)
where:
Base-Base interactions energy: -185.541
where: short stacking energy: -83.041
Base-Backbone interact. energy: -0.453
local terms energy: -89.962177
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -23.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -215.361745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.361745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.361745 (E_RNA)
where:
Base-Base interactions energy: -143.764
where: short stacking energy: -58.324
Base-Backbone interact. energy: -0.357
local terms energy: -71.240583
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -16.929
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: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -222.015879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.015879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.015879 (E_RNA)
where:
Base-Base interactions energy: -147.824
where: short stacking energy: -62.068
Base-Backbone interact. energy: -0.092
local terms energy: -74.099740
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -13.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -96.110983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.110983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.110983 (E_RNA)
where:
Base-Base interactions energy: -42.212
where: short stacking energy: -39.001
Base-Backbone interact. energy: -0.260
local terms energy: -53.639407
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -9.919
flat angles C4'-P-C4' energy: -6.508
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -5.102
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: 1
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -93.474102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.474102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.474102 (E_RNA)
where:
Base-Base interactions energy: -37.175
where: short stacking energy: -22.353
Base-Backbone interact. energy: 0.717
local terms energy: -57.015560
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: 0.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -91.216618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.216618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.216618 (E_RNA)
where:
Base-Base interactions energy: -35.041
where: short stacking energy: -35.041
Base-Backbone interact. energy: -0.182
local terms energy: -55.993225
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -6.264
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -9.481
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: 150
Temperature: 0.900000
Total energy: -305.431539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.431539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.431539 (E_RNA)
where:
Base-Base interactions energy: -212.093
where: short stacking energy: -86.273
Base-Backbone interact. energy: -0.181
local terms energy: -93.158256
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -27.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -287.240299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.240299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.240299 (E_RNA)
where:
Base-Base interactions energy: -193.551
where: short stacking energy: -80.288
Base-Backbone interact. energy: -0.417
local terms energy: -93.272400
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -23.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -278.040499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.040499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.040499 (E_RNA)
where:
Base-Base interactions energy: -189.178
where: short stacking energy: -73.621
Base-Backbone interact. energy: -0.115
local terms energy: -88.747030
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -21.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -236.189139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.189139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.189139 (E_RNA)
where:
Base-Base interactions energy: -153.349
where: short stacking energy: -74.209
Base-Backbone interact. energy: -0.002
local terms energy: -82.837444
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -19.615
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -22.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -248.236614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.236614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.236614 (E_RNA)
where:
Base-Base interactions energy: -164.679
where: short stacking energy: -68.266
Base-Backbone interact. energy: -0.092
local terms energy: -83.465539
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -18.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -230.301640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.301640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.301640 (E_RNA)
where:
Base-Base interactions energy: -143.460
where: short stacking energy: -64.499
Base-Backbone interact. energy: 0.449
local terms energy: -87.291292
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -19.251
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -22.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -206.078119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.078119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.078119 (E_RNA)
where:
Base-Base interactions energy: -129.910
where: short stacking energy: -61.906
Base-Backbone interact. energy: 0.060
local terms energy: -76.227860
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -18.040
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -14.311
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: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -105.011636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.011636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.011636 (E_RNA)
where:
Base-Base interactions energy: -37.976
where: short stacking energy: -32.564
Base-Backbone interact. energy: -0.488
local terms energy: -66.548020
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -98.418954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.418954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.418954 (E_RNA)
where:
Base-Base interactions energy: -33.341
where: short stacking energy: -20.616
Base-Backbone interact. energy: -0.315
local terms energy: -64.763111
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -81.700925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.700925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.700925 (E_RNA)
where:
Base-Base interactions energy: -38.065
where: short stacking energy: -36.023
Base-Backbone interact. energy: -0.233
local terms energy: -43.403424
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -7.256
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -1.839
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: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -301.864542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.864542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.864542 (E_RNA)
where:
Base-Base interactions energy: -204.664
where: short stacking energy: -87.975
Base-Backbone interact. energy: -0.060
local terms energy: -97.140138
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -28.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -275.600227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.600227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.600227 (E_RNA)
where:
Base-Base interactions energy: -187.453
where: short stacking energy: -79.195
Base-Backbone interact. energy: -0.132
local terms energy: -88.015671
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -15.475
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: 3, replica: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -279.538150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.538150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.538150 (E_RNA)
where:
Base-Base interactions energy: -196.422
where: short stacking energy: -85.382
Base-Backbone interact. energy: -0.122
local terms energy: -82.993555
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -26.265
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: 10
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -275.891133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.891133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.891133 (E_RNA)
where:
Base-Base interactions energy: -175.541
where: short stacking energy: -83.921
Base-Backbone interact. energy: 0.677
local terms energy: -101.027972
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -20.399
flat angles C4'-P-C4' energy: -20.949
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -27.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -231.879692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.879692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.879692 (E_RNA)
where:
Base-Base interactions energy: -147.783
where: short stacking energy: -69.608
Base-Backbone interact. energy: -0.003
local terms energy: -84.093695
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -215.538393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.538393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.538393 (E_RNA)
where:
Base-Base interactions energy: -148.431
where: short stacking energy: -53.054
Base-Backbone interact. energy: 1.216
local terms energy: -68.323267
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -214.338729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.338729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.338729 (E_RNA)
where:
Base-Base interactions energy: -145.156
where: short stacking energy: -56.691
Base-Backbone interact. energy: -1.431
local terms energy: -67.751353
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -13.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -98.577970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.577970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.577970 (E_RNA)
where:
Base-Base interactions energy: -50.670
where: short stacking energy: -23.939
Base-Backbone interact. energy: -0.463
local terms energy: -47.444944
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: 3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -87.588865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.588865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.588865 (E_RNA)
where:
Base-Base interactions energy: -29.191
where: short stacking energy: -19.416
Base-Backbone interact. energy: -0.369
local terms energy: -58.029043
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: 4.072
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: 151
Temperature: 1.350000
Total energy: -91.042531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.042531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.042531 (E_RNA)
where:
Base-Base interactions energy: -31.330
where: short stacking energy: -30.269
Base-Backbone interact. energy: -0.068
local terms energy: -59.645338
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -10.438
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -6.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -294.256385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.256385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.256385 (E_RNA)
where:
Base-Base interactions energy: -193.334
where: short stacking energy: -84.651
Base-Backbone interact. energy: -0.003
local terms energy: -100.919787
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -20.895
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -29.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -291.309061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.309061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.309061 (E_RNA)
where:
Base-Base interactions energy: -199.515
where: short stacking energy: -82.675
Base-Backbone interact. energy: 1.269
local terms energy: -93.063162
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -24.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -296.314857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.314857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.314857 (E_RNA)
where:
Base-Base interactions energy: -203.275
where: short stacking energy: -86.819
Base-Backbone interact. energy: -0.031
local terms energy: -93.008519
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -26.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -275.755639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.755639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.755639 (E_RNA)
where:
Base-Base interactions energy: -189.329
where: short stacking energy: -83.645
Base-Backbone interact. energy: -0.022
local terms energy: -86.404614
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -27.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -223.640745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.640745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.640745 (E_RNA)
where:
Base-Base interactions energy: -135.901
where: short stacking energy: -55.958
Base-Backbone interact. energy: 0.384
local terms energy: -88.124081
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -212.745975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.745975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.745975 (E_RNA)
where:
Base-Base interactions energy: -141.782
where: short stacking energy: -62.258
Base-Backbone interact. energy: -0.118
local terms energy: -70.845471
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -14.820
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: 2
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -228.506016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.506016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.506016 (E_RNA)
where:
Base-Base interactions energy: -152.041
where: short stacking energy: -71.593
Base-Backbone interact. energy: -0.112
local terms energy: -76.352980
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -14.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -107.381835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.381835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.381835 (E_RNA)
where:
Base-Base interactions energy: -48.235
where: short stacking energy: -38.461
Base-Backbone interact. energy: -0.308
local terms energy: -58.839115
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -3.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -98.865971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.865971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.865971 (E_RNA)
where:
Base-Base interactions energy: -36.463
where: short stacking energy: -36.227
Base-Backbone interact. energy: -0.118
local terms energy: -62.284991
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -82.789748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.789748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.789748 (E_RNA)
where:
Base-Base interactions energy: -20.097
where: short stacking energy: -19.886
Base-Backbone interact. energy: -0.079
local terms energy: -62.613914
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: 2.703
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: 1, replica: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -293.992999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.992999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.992999 (E_RNA)
where:
Base-Base interactions energy: -204.279
where: short stacking energy: -91.299
Base-Backbone interact. energy: -0.679
local terms energy: -89.034374
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -21.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -286.328037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.328037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.328037 (E_RNA)
where:
Base-Base interactions energy: -188.752
where: short stacking energy: -89.455
Base-Backbone interact. energy: 0.647
local terms energy: -98.223733
where:
bonds (distance) C4'-P energy: -18.543
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -21.651
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -27.608
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: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -286.218445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.218445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.218445 (E_RNA)
where:
Base-Base interactions energy: -198.030
where: short stacking energy: -81.915
Base-Backbone interact. energy: -0.012
local terms energy: -88.176539
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -22.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -283.862067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.862067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.862067 (E_RNA)
where:
Base-Base interactions energy: -194.114
where: short stacking energy: -82.223
Base-Backbone interact. energy: -1.512
local terms energy: -88.235561
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -227.813743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.813743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.813743 (E_RNA)
where:
Base-Base interactions energy: -142.224
where: short stacking energy: -61.578
Base-Backbone interact. energy: -0.195
local terms energy: -85.394779
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -242.089992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.089992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.089992 (E_RNA)
where:
Base-Base interactions energy: -171.485
where: short stacking energy: -70.548
Base-Backbone interact. energy: -0.116
local terms energy: -70.488458
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -211.764096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.764096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.764096 (E_RNA)
where:
Base-Base interactions energy: -133.628
where: short stacking energy: -56.860
Base-Backbone interact. energy: -0.015
local terms energy: -78.120678
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -18.405
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -108.928856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.928856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.928856 (E_RNA)
where:
Base-Base interactions energy: -38.390
where: short stacking energy: -34.083
Base-Backbone interact. energy: 0.111
local terms energy: -70.650061
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -12.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -92.416287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.416287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.416287 (E_RNA)
where:
Base-Base interactions energy: -40.999
where: short stacking energy: -23.788
Base-Backbone interact. energy: -0.025
local terms energy: -51.392279
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: 0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -93.274641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.274641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.274641 (E_RNA)
where:
Base-Base interactions energy: -35.405
where: short stacking energy: -26.194
Base-Backbone interact. energy: -0.354
local terms energy: -57.516398
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -5.536
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -292.478583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.478583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.478583 (E_RNA)
where:
Base-Base interactions energy: -191.531
where: short stacking energy: -92.265
Base-Backbone interact. energy: -0.292
local terms energy: -100.655767
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -27.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -282.741434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.741434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.741434 (E_RNA)
where:
Base-Base interactions energy: -190.154
where: short stacking energy: -80.089
Base-Backbone interact. energy: -0.001
local terms energy: -92.586480
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -27.794
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: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -283.456219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.456219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.456219 (E_RNA)
where:
Base-Base interactions energy: -193.430
where: short stacking energy: -85.174
Base-Backbone interact. energy: -0.061
local terms energy: -89.965870
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -15.869
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -26.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -271.451936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.451936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.451936 (E_RNA)
where:
Base-Base interactions energy: -179.968
where: short stacking energy: -78.880
Base-Backbone interact. energy: -0.096
local terms energy: -91.387783
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -23.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -234.152864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.152864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.152864 (E_RNA)
where:
Base-Base interactions energy: -150.385
where: short stacking energy: -60.825
Base-Backbone interact. energy: -0.116
local terms energy: -83.652383
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -17.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -218.213273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.213273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.213273 (E_RNA)
where:
Base-Base interactions energy: -144.757
where: short stacking energy: -67.522
Base-Backbone interact. energy: -0.224
local terms energy: -73.232344
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -18.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -200.407978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.407978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.407978 (E_RNA)
where:
Base-Base interactions energy: -129.656
where: short stacking energy: -55.644
Base-Backbone interact. energy: -0.379
local terms energy: -70.373366
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -19.515
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -3.819
tors. eta vs tors. theta energy: -14.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -99.113665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.113665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.113665 (E_RNA)
where:
Base-Base interactions energy: -37.946
where: short stacking energy: -36.779
Base-Backbone interact. energy: -0.028
local terms energy: -61.139225
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -8.057
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: 9, replica: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -91.010091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.010091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.010091 (E_RNA)
where:
Base-Base interactions energy: -34.019
where: short stacking energy: -26.636
Base-Backbone interact. energy: -0.317
local terms energy: -56.673684
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -77.728700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.728700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.728700 (E_RNA)
where:
Base-Base interactions energy: -28.196
where: short stacking energy: -18.177
Base-Backbone interact. energy: -0.735
local terms energy: -48.797028
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: 6.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -291.427798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.427798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.427798 (E_RNA)
where:
Base-Base interactions energy: -191.375
where: short stacking energy: -87.906
Base-Backbone interact. energy: -0.010
local terms energy: -100.043284
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -18.909
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -27.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -293.720332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.720332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.720332 (E_RNA)
where:
Base-Base interactions energy: -195.923
where: short stacking energy: -87.547
Base-Backbone interact. energy: -0.194
local terms energy: -97.603570
where:
bonds (distance) C4'-P energy: -19.681
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -25.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -284.510170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.510170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.510170 (E_RNA)
where:
Base-Base interactions energy: -188.151
where: short stacking energy: -84.327
Base-Backbone interact. energy: 0.035
local terms energy: -96.394273
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -17.009
tors. eta vs tors. theta energy: -25.476
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: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -275.060932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.060932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.060932 (E_RNA)
where:
Base-Base interactions energy: -184.095
where: short stacking energy: -78.188
Base-Backbone interact. energy: -2.184
local terms energy: -88.782245
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -21.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -236.729880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.729880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.729880 (E_RNA)
where:
Base-Base interactions energy: -155.959
where: short stacking energy: -71.060
Base-Backbone interact. energy: -0.940
local terms energy: -79.830052
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -20.412
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -17.508
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: 6, replica: 9
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -213.101334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.101334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.101334 (E_RNA)
where:
Base-Base interactions energy: -145.096
where: short stacking energy: -63.715
Base-Backbone interact. energy: -0.116
local terms energy: -67.889027
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -17.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -211.398398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.398398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.398398 (E_RNA)
where:
Base-Base interactions energy: -130.939
where: short stacking energy: -52.453
Base-Backbone interact. energy: -0.003
local terms energy: -80.456537
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -15.674
tors. eta vs tors. theta energy: -19.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -92.751862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.751862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.751862 (E_RNA)
where:
Base-Base interactions energy: -31.945
where: short stacking energy: -23.187
Base-Backbone interact. energy: -0.472
local terms energy: -60.334961
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -1.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -93.349188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.349188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.349188 (E_RNA)
where:
Base-Base interactions energy: -29.137
where: short stacking energy: -27.929
Base-Backbone interact. energy: -0.105
local terms energy: -64.107349
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -4.742
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: 4
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -80.357825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.357825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.357825 (E_RNA)
where:
Base-Base interactions energy: -24.482
where: short stacking energy: -14.595
Base-Backbone interact. energy: 0.071
local terms energy: -55.946906
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -3.475
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: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -291.375327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.375327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.375327 (E_RNA)
where:
Base-Base interactions energy: -191.101
where: short stacking energy: -88.471
Base-Backbone interact. energy: -0.005
local terms energy: -100.269007
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -16.705
tors. eta vs tors. theta energy: -26.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -290.806092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.806092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.806092 (E_RNA)
where:
Base-Base interactions energy: -199.941
where: short stacking energy: -87.756
Base-Backbone interact. energy: -0.607
local terms energy: -90.257455
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -23.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -297.665117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.665117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.665117 (E_RNA)
where:
Base-Base interactions energy: -203.032
where: short stacking energy: -89.470
Base-Backbone interact. energy: -0.084
local terms energy: -94.548711
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -24.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -269.945515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.945515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.945515 (E_RNA)
where:
Base-Base interactions energy: -179.737
where: short stacking energy: -87.757
Base-Backbone interact. energy: -0.325
local terms energy: -89.883042
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -27.448
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: 156
Temperature: 1.100000
Total energy: -227.937898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.937898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.937898 (E_RNA)
where:
Base-Base interactions energy: -144.042
where: short stacking energy: -65.091
Base-Backbone interact. energy: -0.076
local terms energy: -83.820140
where:
bonds (distance) C4'-P energy: -19.649
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -222.837366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.837366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.837366 (E_RNA)
where:
Base-Base interactions energy: -145.134
where: short stacking energy: -70.763
Base-Backbone interact. energy: -0.064
local terms energy: -77.639676
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -17.152
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: 156
Temperature: 1.200000
Total energy: -205.240326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.240326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.240326 (E_RNA)
where:
Base-Base interactions energy: -134.765
where: short stacking energy: -60.926
Base-Backbone interact. energy: -0.133
local terms energy: -70.343140
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -106.830806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.830806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.830806 (E_RNA)
where:
Base-Base interactions energy: -48.007
where: short stacking energy: -46.471
Base-Backbone interact. energy: -0.055
local terms energy: -58.768642
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -9.210
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -98.205497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.205497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.205497 (E_RNA)
where:
Base-Base interactions energy: -44.497
where: short stacking energy: -35.731
Base-Backbone interact. energy: -0.557
local terms energy: -53.152038
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -100.787528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.787528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.787528 (E_RNA)
where:
Base-Base interactions energy: -36.482
where: short stacking energy: -36.482
Base-Backbone interact. energy: -0.097
local terms energy: -64.208872
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -5.705
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: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -288.044241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.044241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.044241 (E_RNA)
where:
Base-Base interactions energy: -192.610
where: short stacking energy: -84.544
Base-Backbone interact. energy: -0.082
local terms energy: -95.352672
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -25.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -284.994869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.994869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.994869 (E_RNA)
where:
Base-Base interactions energy: -187.676
where: short stacking energy: -90.422
Base-Backbone interact. energy: -0.587
local terms energy: -96.731622
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: -27.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -285.021380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.021380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.021380 (E_RNA)
where:
Base-Base interactions energy: -191.057
where: short stacking energy: -83.329
Base-Backbone interact. energy: 0.014
local terms energy: -93.978161
where:
bonds (distance) C4'-P energy: -21.739
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -27.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -278.322608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.322608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.322608 (E_RNA)
where:
Base-Base interactions energy: -180.728
where: short stacking energy: -82.015
Base-Backbone interact. energy: -0.007
local terms energy: -97.588116
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -20.472
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -26.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -228.002305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.002305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.002305 (E_RNA)
where:
Base-Base interactions energy: -143.220
where: short stacking energy: -68.777
Base-Backbone interact. energy: -0.017
local terms energy: -84.765305
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -19.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -210.767994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.767994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.767994 (E_RNA)
where:
Base-Base interactions energy: -138.414
where: short stacking energy: -62.386
Base-Backbone interact. energy: -0.013
local terms energy: -72.340969
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -13.955
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: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -202.043225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.043225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.043225 (E_RNA)
where:
Base-Base interactions energy: -124.266
where: short stacking energy: -54.513
Base-Backbone interact. energy: -0.498
local terms energy: -77.279231
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -14.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -107.691063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.691063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.691063 (E_RNA)
where:
Base-Base interactions energy: -38.530
where: short stacking energy: -34.143
Base-Backbone interact. energy: -0.083
local terms energy: -69.078257
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -8.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -101.047958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.047958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.047958 (E_RNA)
where:
Base-Base interactions energy: -39.891
where: short stacking energy: -34.389
Base-Backbone interact. energy: -0.173
local terms energy: -60.983937
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -91.405632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.405632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.405632 (E_RNA)
where:
Base-Base interactions energy: -27.024
where: short stacking energy: -26.820
Base-Backbone interact. energy: 1.200
local terms energy: -65.581019
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -5.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -287.160070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.160070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.160070 (E_RNA)
where:
Base-Base interactions energy: -195.936
where: short stacking energy: -86.635
Base-Backbone interact. energy: -0.006
local terms energy: -91.218016
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -17.155
tors. eta vs tors. theta energy: -24.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -284.058481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.058481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.058481 (E_RNA)
where:
Base-Base interactions energy: -187.672
where: short stacking energy: -75.246
Base-Backbone interact. energy: -0.002
local terms energy: -96.384925
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -22.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -275.978643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.978643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.978643 (E_RNA)
where:
Base-Base interactions energy: -181.946
where: short stacking energy: -74.762
Base-Backbone interact. energy: -0.003
local terms energy: -94.029676
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -24.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -268.426116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.426116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.426116 (E_RNA)
where:
Base-Base interactions energy: -177.248
where: short stacking energy: -86.879
Base-Backbone interact. energy: -0.145
local terms energy: -91.033958
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -27.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -223.612156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.612156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.612156 (E_RNA)
where:
Base-Base interactions energy: -149.723
where: short stacking energy: -67.927
Base-Backbone interact. energy: -1.045
local terms energy: -72.844396
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -228.382918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.382918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.382918 (E_RNA)
where:
Base-Base interactions energy: -147.944
where: short stacking energy: -72.003
Base-Backbone interact. energy: -0.481
local terms energy: -79.957577
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -214.853498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.853498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.853498 (E_RNA)
where:
Base-Base interactions energy: -132.522
where: short stacking energy: -58.992
Base-Backbone interact. energy: -0.218
local terms energy: -82.113358
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -19.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -103.549084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.549084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.549084 (E_RNA)
where:
Base-Base interactions energy: -35.701
where: short stacking energy: -20.736
Base-Backbone interact. energy: 0.344
local terms energy: -68.192257
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -0.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -85.058270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.058270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.058270 (E_RNA)
where:
Base-Base interactions energy: -34.627
where: short stacking energy: -27.791
Base-Backbone interact. energy: -1.439
local terms energy: -48.992929
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: 6.111
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: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -88.403912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.403912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.403912 (E_RNA)
where:
Base-Base interactions energy: -22.546
where: short stacking energy: -22.546
Base-Backbone interact. energy: 0.544
local terms energy: -66.402208
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -294.154853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.154853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.154853 (E_RNA)
where:
Base-Base interactions energy: -205.364
where: short stacking energy: -86.181
Base-Backbone interact. energy: -0.045
local terms energy: -88.746033
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -290.901904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.901904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.901904 (E_RNA)
where:
Base-Base interactions energy: -200.658
where: short stacking energy: -83.403
Base-Backbone interact. energy: -0.105
local terms energy: -90.139171
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -27.438
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: 7
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -281.822752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.822752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.822752 (E_RNA)
where:
Base-Base interactions energy: -198.816
where: short stacking energy: -77.075
Base-Backbone interact. energy: -0.086
local terms energy: -82.920433
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -21.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -277.525794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.525794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.525794 (E_RNA)
where:
Base-Base interactions energy: -189.667
where: short stacking energy: -75.220
Base-Backbone interact. energy: -0.125
local terms energy: -87.734473
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -24.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -219.951795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.951795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.951795 (E_RNA)
where:
Base-Base interactions energy: -139.160
where: short stacking energy: -62.817
Base-Backbone interact. energy: -0.010
local terms energy: -80.781664
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -11.580
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: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -220.924022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.924022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.924022 (E_RNA)
where:
Base-Base interactions energy: -141.469
where: short stacking energy: -64.563
Base-Backbone interact. energy: -0.005
local terms energy: -79.449967
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -208.801333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.801333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.801333 (E_RNA)
where:
Base-Base interactions energy: -129.864
where: short stacking energy: -58.908
Base-Backbone interact. energy: -0.011
local terms energy: -78.926544
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -100.724516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.724516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.724516 (E_RNA)
where:
Base-Base interactions energy: -44.893
where: short stacking energy: -32.000
Base-Backbone interact. energy: 0.622
local terms energy: -56.453259
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -3.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -103.572948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.572948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.572948 (E_RNA)
where:
Base-Base interactions energy: -28.749
where: short stacking energy: -25.828
Base-Backbone interact. energy: -0.099
local terms energy: -74.724555
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -19.670
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -8.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -85.903782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.903782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.903782 (E_RNA)
where:
Base-Base interactions energy: -33.346
where: short stacking energy: -21.445
Base-Backbone interact. energy: -0.405
local terms energy: -52.152829
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: 1.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -291.990870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.990870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.990870 (E_RNA)
where:
Base-Base interactions energy: -202.185
where: short stacking energy: -78.128
Base-Backbone interact. energy: -0.939
local terms energy: -88.866738
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -17.422
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -23.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -284.553919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.553919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.553919 (E_RNA)
where:
Base-Base interactions energy: -185.786
where: short stacking energy: -79.563
Base-Backbone interact. energy: -0.103
local terms energy: -98.664899
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -19.609
flat angles C4'-P-C4' energy: -20.465
flat angles P-C4'-P energy: -11.950
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: 3, replica: 10
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -277.751548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.751548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.751548 (E_RNA)
where:
Base-Base interactions energy: -179.020
where: short stacking energy: -73.613
Base-Backbone interact. energy: -0.002
local terms energy: -98.729498
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -15.879
tors. eta vs tors. theta energy: -26.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -275.603457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.603457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.603457 (E_RNA)
where:
Base-Base interactions energy: -182.104
where: short stacking energy: -80.923
Base-Backbone interact. energy: -0.024
local terms energy: -93.475184
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -23.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -226.208736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.208736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.208736 (E_RNA)
where:
Base-Base interactions energy: -137.145
where: short stacking energy: -65.081
Base-Backbone interact. energy: 0.016
local terms energy: -89.080560
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -18.500
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -21.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -205.270907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.270907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.270907 (E_RNA)
where:
Base-Base interactions energy: -146.051
where: short stacking energy: -53.423
Base-Backbone interact. energy: -0.384
local terms energy: -58.836496
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -6.126
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: 7, replica: 8
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -218.991601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.991601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.991601 (E_RNA)
where:
Base-Base interactions energy: -145.272
where: short stacking energy: -68.678
Base-Backbone interact. energy: 3.635
local terms energy: -77.354818
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -109.764207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.764207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.764207 (E_RNA)
where:
Base-Base interactions energy: -43.809
where: short stacking energy: -37.040
Base-Backbone interact. energy: -0.307
local terms energy: -65.648206
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -7.557
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: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -87.363883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.363883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.363883 (E_RNA)
where:
Base-Base interactions energy: -28.430
where: short stacking energy: -28.058
Base-Backbone interact. energy: 0.305
local terms energy: -59.238719
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -3.741
tors. eta vs tors. theta energy: -0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -91.124355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.124355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.124355 (E_RNA)
where:
Base-Base interactions energy: -38.263
where: short stacking energy: -28.460
Base-Backbone interact. energy: 0.086
local terms energy: -52.947403
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: 0.996
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: 1, replica: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -282.640260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.640260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.640260 (E_RNA)
where:
Base-Base interactions energy: -196.445
where: short stacking energy: -80.582
Base-Backbone interact. energy: -0.094
local terms energy: -86.101183
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -19.552
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: 10
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -290.767300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.767300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.767300 (E_RNA)
where:
Base-Base interactions energy: -193.634
where: short stacking energy: -81.066
Base-Backbone interact. energy: -0.117
local terms energy: -97.016534
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -20.731
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -23.877
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: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -274.833242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.833242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.833242 (E_RNA)
where:
Base-Base interactions energy: -182.658
where: short stacking energy: -82.549
Base-Backbone interact. energy: -0.072
local terms energy: -92.102627
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -22.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -272.459219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.459219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.459219 (E_RNA)
where:
Base-Base interactions energy: -175.028
where: short stacking energy: -78.755
Base-Backbone interact. energy: -0.521
local terms energy: -96.910162
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -27.820
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: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -225.063516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.063516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.063516 (E_RNA)
where:
Base-Base interactions energy: -149.551
where: short stacking energy: -63.617
Base-Backbone interact. energy: -0.503
local terms energy: -75.008858
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -215.033033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.033033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.033033 (E_RNA)
where:
Base-Base interactions energy: -148.965
where: short stacking energy: -67.425
Base-Backbone interact. energy: -0.171
local terms energy: -65.896617
where:
bonds (distance) C4'-P energy: -8.301
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -6.612
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: 7, replica: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -198.685701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.685701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.685701 (E_RNA)
where:
Base-Base interactions energy: -128.785
where: short stacking energy: -50.613
Base-Backbone interact. energy: -0.673
local terms energy: -69.228020
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -11.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -119.905128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.905128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.905128 (E_RNA)
where:
Base-Base interactions energy: -62.202
where: short stacking energy: -26.679
Base-Backbone interact. energy: -0.395
local terms energy: -57.308287
where:
bonds (distance) C4'-P energy: -21.863
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -8.257
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -1.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -99.998289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.998289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.998289 (E_RNA)
where:
Base-Base interactions energy: -46.277
where: short stacking energy: -27.487
Base-Backbone interact. energy: -1.330
local terms energy: -52.391755
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -9.451
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -86.753743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.753743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.753743 (E_RNA)
where:
Base-Base interactions energy: -27.231
where: short stacking energy: -19.761
Base-Backbone interact. energy: 0.106
local terms energy: -59.629000
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -292.499277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.499277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.499277 (E_RNA)
where:
Base-Base interactions energy: -197.628
where: short stacking energy: -85.694
Base-Backbone interact. energy: -0.362
local terms energy: -94.509458
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -19.312
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -26.899
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: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -296.652416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.652416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.652416 (E_RNA)
where:
Base-Base interactions energy: -207.813
where: short stacking energy: -80.958
Base-Backbone interact. energy: -0.112
local terms energy: -88.727608
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -25.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -278.705559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.705559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.705559 (E_RNA)
where:
Base-Base interactions energy: -182.272
where: short stacking energy: -70.840
Base-Backbone interact. energy: -0.480
local terms energy: -95.953954
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: -22.497
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: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -276.328029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.328029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.328029 (E_RNA)
where:
Base-Base interactions energy: -188.060
where: short stacking energy: -78.091
Base-Backbone interact. energy: -0.018
local terms energy: -88.250077
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -20.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -231.901551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.901551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.901551 (E_RNA)
where:
Base-Base interactions energy: -145.852
where: short stacking energy: -60.462
Base-Backbone interact. energy: -0.777
local terms energy: -85.273043
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -221.362058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.362058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.362058 (E_RNA)
where:
Base-Base interactions energy: -147.278
where: short stacking energy: -67.260
Base-Backbone interact. energy: -0.062
local terms energy: -74.022256
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -19.026
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: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -207.105226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.105226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.105226 (E_RNA)
where:
Base-Base interactions energy: -130.798
where: short stacking energy: -51.630
Base-Backbone interact. energy: -0.329
local terms energy: -75.977704
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -20.234
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -5.108
tors. eta vs tors. theta energy: -13.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -157.101475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.101475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.101475 (E_RNA)
where:
Base-Base interactions energy: -96.360
where: short stacking energy: -52.570
Base-Backbone interact. energy: -0.193
local terms energy: -60.548684
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -10.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -103.014490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.014490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.014490 (E_RNA)
where:
Base-Base interactions energy: -42.505
where: short stacking energy: -31.218
Base-Backbone interact. energy: -0.165
local terms energy: -60.345134
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -6.051
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: 10, replica: 1
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -83.343821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.343821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.343821 (E_RNA)
where:
Base-Base interactions energy: -37.105
where: short stacking energy: -31.551
Base-Backbone interact. energy: 1.195
local terms energy: -47.433377
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: 0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -296.018912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.018912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.018912 (E_RNA)
where:
Base-Base interactions energy: -201.640
where: short stacking energy: -83.078
Base-Backbone interact. energy: -0.004
local terms energy: -94.375110
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -23.170
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: 163
Temperature: 0.950000
Total energy: -300.090033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.090033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.090033 (E_RNA)
where:
Base-Base interactions energy: -206.249
where: short stacking energy: -83.672
Base-Backbone interact. energy: -0.058
local terms energy: -93.783464
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -25.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -283.121149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.121149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.121149 (E_RNA)
where:
Base-Base interactions energy: -194.680
where: short stacking energy: -90.021
Base-Backbone interact. energy: -0.246
local terms energy: -88.194831
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -24.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -230.694536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.694536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.694536 (E_RNA)
where:
Base-Base interactions energy: -149.697
where: short stacking energy: -66.874
Base-Backbone interact. energy: 2.184
local terms energy: -83.181834
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -12.475
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: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -272.067278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.067278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.067278 (E_RNA)
where:
Base-Base interactions energy: -185.048
where: short stacking energy: -65.704
Base-Backbone interact. energy: -0.392
local terms energy: -86.627490
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -207.124383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.124383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.124383 (E_RNA)
where:
Base-Base interactions energy: -133.780
where: short stacking energy: -54.794
Base-Backbone interact. energy: -0.108
local terms energy: -73.236573
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -12.558
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: 7, replica: 9
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -210.155399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.155399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.155399 (E_RNA)
where:
Base-Base interactions energy: -139.560
where: short stacking energy: -73.077
Base-Backbone interact. energy: -0.084
local terms energy: -70.511131
where:
bonds (distance) C4'-P energy: -10.051
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -11.882
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: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -105.033404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.033404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.033404 (E_RNA)
where:
Base-Base interactions energy: -49.062
where: short stacking energy: -42.601
Base-Backbone interact. energy: -0.289
local terms energy: -55.683309
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -2.018
tors. eta vs tors. theta energy: -12.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -95.198389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.198389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.198389 (E_RNA)
where:
Base-Base interactions energy: -42.154
where: short stacking energy: -28.342
Base-Backbone interact. energy: -1.556
local terms energy: -51.489313
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -8.723
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: 1
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -96.199954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.199954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.199954 (E_RNA)
where:
Base-Base interactions energy: -29.072
where: short stacking energy: -29.072
Base-Backbone interact. energy: -0.101
local terms energy: -67.027419
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -5.337
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: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -296.158372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.158372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.158372 (E_RNA)
where:
Base-Base interactions energy: -205.797
where: short stacking energy: -81.048
Base-Backbone interact. energy: -0.049
local terms energy: -90.312065
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -22.709
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -25.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -286.513347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.513347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.513347 (E_RNA)
where:
Base-Base interactions energy: -190.056
where: short stacking energy: -86.398
Base-Backbone interact. energy: -0.025
local terms energy: -96.432897
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -10.080
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: 3, replica: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -284.574514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.574514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.574514 (E_RNA)
where:
Base-Base interactions energy: -193.839
where: short stacking energy: -82.122
Base-Backbone interact. energy: -0.060
local terms energy: -90.675427
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -22.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -241.071905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.071905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.071905 (E_RNA)
where:
Base-Base interactions energy: -147.922
where: short stacking energy: -67.154
Base-Backbone interact. energy: 0.331
local terms energy: -93.481758
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -20.960
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -21.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -262.109541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.109541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.109541 (E_RNA)
where:
Base-Base interactions energy: -173.336
where: short stacking energy: -73.002
Base-Backbone interact. energy: -0.054
local terms energy: -88.719659
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -22.040
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -22.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -213.954489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.954489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.954489 (E_RNA)
where:
Base-Base interactions energy: -144.152
where: short stacking energy: -61.192
Base-Backbone interact. energy: 2.774
local terms energy: -72.575921
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -171.987295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.987295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.987295 (E_RNA)
where:
Base-Base interactions energy: -100.709
where: short stacking energy: -48.522
Base-Backbone interact. energy: 0.041
local terms energy: -71.319492
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -11.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -101.941820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.941820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.941820 (E_RNA)
where:
Base-Base interactions energy: -36.705
where: short stacking energy: -32.135
Base-Backbone interact. energy: -0.092
local terms energy: -65.144095
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -104.806738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.806738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.806738 (E_RNA)
where:
Base-Base interactions energy: -35.253
where: short stacking energy: -35.253
Base-Backbone interact. energy: -0.262
local terms energy: -69.291323
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -19.612
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -87.778531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.778531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.778531 (E_RNA)
where:
Base-Base interactions energy: -32.925
where: short stacking energy: -23.435
Base-Backbone interact. energy: -0.190
local terms energy: -54.663836
where:
bonds (distance) C4'-P energy: -20.083
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: 0.074
tors. eta vs tors. theta energy: 3.632
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: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -287.567484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.567484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.567484 (E_RNA)
where:
Base-Base interactions energy: -191.580
where: short stacking energy: -87.796
Base-Backbone interact. energy: -0.002
local terms energy: -95.986154
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -22.869
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: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -286.415482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.415482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.415482 (E_RNA)
where:
Base-Base interactions energy: -200.835
where: short stacking energy: -83.800
Base-Backbone interact. energy: -0.041
local terms energy: -85.539890
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -22.979
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: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -279.030360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.030360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.030360 (E_RNA)
where:
Base-Base interactions energy: -181.789
where: short stacking energy: -81.943
Base-Backbone interact. energy: -0.002
local terms energy: -97.239707
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: -25.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -274.401936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.401936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.401936 (E_RNA)
where:
Base-Base interactions energy: -186.750
where: short stacking energy: -84.864
Base-Backbone interact. energy: -0.025
local terms energy: -87.627851
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -26.407
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: 5, replica: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -234.988453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.988453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.988453 (E_RNA)
where:
Base-Base interactions energy: -145.294
where: short stacking energy: -66.924
Base-Backbone interact. energy: 0.181
local terms energy: -89.875155
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -23.506
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: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -212.162860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.162860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.162860 (E_RNA)
where:
Base-Base interactions energy: -139.623
where: short stacking energy: -53.833
Base-Backbone interact. energy: 1.877
local terms energy: -74.416185
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -11.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -203.587075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.587075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.587075 (E_RNA)
where:
Base-Base interactions energy: -118.301
where: short stacking energy: -60.653
Base-Backbone interact. energy: -2.355
local terms energy: -82.931200
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -107.202206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.202206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.202206 (E_RNA)
where:
Base-Base interactions energy: -43.192
where: short stacking energy: -29.858
Base-Backbone interact. energy: -0.282
local terms energy: -63.727887
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -1.509
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: 9, replica: 4
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -107.016256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.016256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.016256 (E_RNA)
where:
Base-Base interactions energy: -41.536
where: short stacking energy: -41.536
Base-Backbone interact. energy: -0.018
local terms energy: -65.461742
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -10.349
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: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -84.094428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.094428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.094428 (E_RNA)
where:
Base-Base interactions energy: -31.637
where: short stacking energy: -25.369
Base-Backbone interact. energy: -0.506
local terms energy: -51.951185
where:
bonds (distance) C4'-P energy: -7.036
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -297.768331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.768331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.768331 (E_RNA)
where:
Base-Base interactions energy: -206.034
where: short stacking energy: -85.778
Base-Backbone interact. energy: -0.059
local terms energy: -91.675288
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -27.461
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: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -277.669590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.669590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.669590 (E_RNA)
where:
Base-Base interactions energy: -185.133
where: short stacking energy: -90.682
Base-Backbone interact. energy: -0.822
local terms energy: -91.714958
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -27.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -282.659294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.659294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.659294 (E_RNA)
where:
Base-Base interactions energy: -190.728
where: short stacking energy: -95.238
Base-Backbone interact. energy: -0.086
local terms energy: -91.845263
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -25.427
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: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -261.762131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.762131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.762131 (E_RNA)
where:
Base-Base interactions energy: -171.959
where: short stacking energy: -75.381
Base-Backbone interact. energy: -0.068
local terms energy: -89.734745
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -22.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -232.037283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.037283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.037283 (E_RNA)
where:
Base-Base interactions energy: -146.839
where: short stacking energy: -70.859
Base-Backbone interact. energy: -0.099
local terms energy: -85.098673
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -22.434
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -235.844545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.844545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.844545 (E_RNA)
where:
Base-Base interactions energy: -158.690
where: short stacking energy: -75.460
Base-Backbone interact. energy: -0.007
local terms energy: -77.147883
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -19.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -221.316507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.316507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.316507 (E_RNA)
where:
Base-Base interactions energy: -137.478
where: short stacking energy: -61.924
Base-Backbone interact. energy: -0.005
local terms energy: -83.833561
where:
bonds (distance) C4'-P energy: -18.261
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -15.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -99.048366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.048366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.048366 (E_RNA)
where:
Base-Base interactions energy: -48.018
where: short stacking energy: -43.468
Base-Backbone interact. energy: 2.695
local terms energy: -53.725245
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -2.622
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -101.850407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.850407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.850407 (E_RNA)
where:
Base-Base interactions energy: -40.078
where: short stacking energy: -33.859
Base-Backbone interact. energy: -0.183
local terms energy: -61.589329
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -10.964
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: 4
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -97.120622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.120622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.120622 (E_RNA)
where:
Base-Base interactions energy: -41.837
where: short stacking energy: -37.076
Base-Backbone interact. energy: -0.491
local terms energy: -54.793095
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -6.281
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: -6.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -293.414768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.414768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.414768 (E_RNA)
where:
Base-Base interactions energy: -204.833
where: short stacking energy: -88.592
Base-Backbone interact. energy: -0.099
local terms energy: -88.482445
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -24.458
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: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -285.755485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.755485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.755485 (E_RNA)
where:
Base-Base interactions energy: -191.188
where: short stacking energy: -88.795
Base-Backbone interact. energy: -0.002
local terms energy: -94.564821
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -27.862
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: 3, replica: 3
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -293.014794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.014794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.014794 (E_RNA)
where:
Base-Base interactions energy: -197.389
where: short stacking energy: -79.409
Base-Backbone interact. energy: -0.113
local terms energy: -95.512539
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -22.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -232.247778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.247778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.247778 (E_RNA)
where:
Base-Base interactions energy: -147.473
where: short stacking energy: -69.634
Base-Backbone interact. energy: -0.002
local terms energy: -84.772810
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -22.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -232.187718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.187718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.187718 (E_RNA)
where:
Base-Base interactions energy: -154.711
where: short stacking energy: -65.435
Base-Backbone interact. energy: -0.211
local terms energy: -77.265292
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -10.624
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: 6, replica: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -247.531868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.531868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.531868 (E_RNA)
where:
Base-Base interactions energy: -154.865
where: short stacking energy: -76.637
Base-Backbone interact. energy: -0.023
local terms energy: -92.643455
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -25.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -211.648878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.648878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.648878 (E_RNA)
where:
Base-Base interactions energy: -137.051
where: short stacking energy: -65.341
Base-Backbone interact. energy: -0.159
local terms energy: -74.438776
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -21.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -101.400054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.400054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.400054 (E_RNA)
where:
Base-Base interactions energy: -37.511
where: short stacking energy: -35.504
Base-Backbone interact. energy: -1.826
local terms energy: -62.063412
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -7.773
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: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -91.737286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.737286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.737286 (E_RNA)
where:
Base-Base interactions energy: -35.024
where: short stacking energy: -34.156
Base-Backbone interact. energy: -0.089
local terms energy: -56.624120
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -7.010
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: 10, replica: 4
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -94.863832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.863832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.863832 (E_RNA)
where:
Base-Base interactions energy: -45.432
where: short stacking energy: -26.377
Base-Backbone interact. energy: -0.171
local terms energy: -49.260569
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: 2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -293.317234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.317234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.317234 (E_RNA)
where:
Base-Base interactions energy: -200.997
where: short stacking energy: -83.305
Base-Backbone interact. energy: -0.095
local terms energy: -92.225532
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -24.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -296.756209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.756209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.756209 (E_RNA)
where:
Base-Base interactions energy: -202.873
where: short stacking energy: -85.284
Base-Backbone interact. energy: -0.093
local terms energy: -93.790960
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -26.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -286.765696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.765696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.765696 (E_RNA)
where:
Base-Base interactions energy: -194.762
where: short stacking energy: -80.520
Base-Backbone interact. energy: -0.064
local terms energy: -91.938882
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -13.312
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: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -231.611931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.611931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.611931 (E_RNA)
where:
Base-Base interactions energy: -141.631
where: short stacking energy: -64.302
Base-Backbone interact. energy: -0.611
local terms energy: -89.369741
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -19.136
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -229.862286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.862286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.862286 (E_RNA)
where:
Base-Base interactions energy: -146.181
where: short stacking energy: -69.260
Base-Backbone interact. energy: -0.109
local terms energy: -83.572862
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -24.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -241.831093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.831093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.831093 (E_RNA)
where:
Base-Base interactions energy: -166.323
where: short stacking energy: -68.416
Base-Backbone interact. energy: -0.177
local terms energy: -75.330387
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -17.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -199.565765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.565765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.565765 (E_RNA)
where:
Base-Base interactions energy: -119.342
where: short stacking energy: -55.592
Base-Backbone interact. energy: -0.802
local terms energy: -79.421783
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -18.603
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -13.585
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: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -101.833861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.833861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.833861 (E_RNA)
where:
Base-Base interactions energy: -41.179
where: short stacking energy: -33.778
Base-Backbone interact. energy: -0.263
local terms energy: -60.391782
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -90.932447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.932447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.932447 (E_RNA)
where:
Base-Base interactions energy: -29.459
where: short stacking energy: -19.277
Base-Backbone interact. energy: -0.031
local terms energy: -61.442255
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -1.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -90.271456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.271456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.271456 (E_RNA)
where:
Base-Base interactions energy: -32.868
where: short stacking energy: -21.931
Base-Backbone interact. energy: -0.316
local terms energy: -57.087444
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: 4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -303.929988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.929988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.929988 (E_RNA)
where:
Base-Base interactions energy: -208.610
where: short stacking energy: -88.114
Base-Backbone interact. energy: -0.100
local terms energy: -95.219373
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -26.355
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: 2, replica: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -298.098201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.098201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.098201 (E_RNA)
where:
Base-Base interactions energy: -205.778
where: short stacking energy: -91.788
Base-Backbone interact. energy: -0.145
local terms energy: -92.174803
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -24.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -283.755780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.755780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.755780 (E_RNA)
where:
Base-Base interactions energy: -197.551
where: short stacking energy: -81.773
Base-Backbone interact. energy: 0.338
local terms energy: -86.542522
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -23.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -233.308360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.308360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.308360 (E_RNA)
where:
Base-Base interactions energy: -153.363
where: short stacking energy: -67.252
Base-Backbone interact. energy: -0.086
local terms energy: -79.859015
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -10.897
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: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -220.106916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.106916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.106916 (E_RNA)
where:
Base-Base interactions energy: -140.972
where: short stacking energy: -63.311
Base-Backbone interact. energy: -0.043
local terms energy: -79.092272
where:
bonds (distance) C4'-P energy: -18.907
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -17.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -249.279716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.279716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.279716 (E_RNA)
where:
Base-Base interactions energy: -167.395
where: short stacking energy: -67.436
Base-Backbone interact. energy: -0.058
local terms energy: -81.826738
where:
bonds (distance) C4'-P energy: -20.085
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -200.966427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.966427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.966427 (E_RNA)
where:
Base-Base interactions energy: -131.184
where: short stacking energy: -54.270
Base-Backbone interact. energy: 0.105
local terms energy: -69.887151
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -10.885
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: 8, replica: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -102.216004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.216004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.216004 (E_RNA)
where:
Base-Base interactions energy: -34.861
where: short stacking energy: -30.686
Base-Backbone interact. energy: -0.102
local terms energy: -67.253621
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -9.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -85.297432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.297432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.297432 (E_RNA)
where:
Base-Base interactions energy: -29.252
where: short stacking energy: -18.822
Base-Backbone interact. energy: -0.177
local terms energy: -55.868823
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: 2.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -95.502971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.502971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.502971 (E_RNA)
where:
Base-Base interactions energy: -38.670
where: short stacking energy: -36.585
Base-Backbone interact. energy: -0.006
local terms energy: -56.827265
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -294.169726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.169726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.169726 (E_RNA)
where:
Base-Base interactions energy: -201.628
where: short stacking energy: -85.334
Base-Backbone interact. energy: -0.010
local terms energy: -92.530892
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -25.968
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: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -284.025040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.025040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.025040 (E_RNA)
where:
Base-Base interactions energy: -192.471
where: short stacking energy: -83.568
Base-Backbone interact. energy: -0.028
local terms energy: -91.526685
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -22.498
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: 3, replica: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -292.372275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.372275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.372275 (E_RNA)
where:
Base-Base interactions energy: -200.371
where: short stacking energy: -89.604
Base-Backbone interact. energy: -0.004
local terms energy: -91.996842
where:
bonds (distance) C4'-P energy: -18.975
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -23.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -249.886831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.886831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.886831 (E_RNA)
where:
Base-Base interactions energy: -153.099
where: short stacking energy: -75.775
Base-Backbone interact. energy: -0.284
local terms energy: -96.503035
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -15.747
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: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -235.563062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.563062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.563062 (E_RNA)
where:
Base-Base interactions energy: -154.444
where: short stacking energy: -69.535
Base-Backbone interact. energy: -0.782
local terms energy: -80.336936
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -216.835012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.835012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.835012 (E_RNA)
where:
Base-Base interactions energy: -138.402
where: short stacking energy: -66.174
Base-Backbone interact. energy: -0.239
local terms energy: -78.194434
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -20.414
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -17.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -209.257365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.257365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.257365 (E_RNA)
where:
Base-Base interactions energy: -143.466
where: short stacking energy: -54.454
Base-Backbone interact. energy: -1.127
local terms energy: -64.664262
where:
bonds (distance) C4'-P energy: -8.827
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -10.619
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: 170
Temperature: 1.250000
Total energy: -101.001438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.001438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.001438 (E_RNA)
where:
Base-Base interactions energy: -46.806
where: short stacking energy: -21.965
Base-Backbone interact. energy: -0.161
local terms energy: -54.033644
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -87.000293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.000293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.000293 (E_RNA)
where:
Base-Base interactions energy: -36.390
where: short stacking energy: -27.155
Base-Backbone interact. energy: -0.257
local terms energy: -50.353999
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: 1.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -97.172472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.172472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.172472 (E_RNA)
where:
Base-Base interactions energy: -42.845
where: short stacking energy: -37.612
Base-Backbone interact. energy: -0.022
local terms energy: -54.305114
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: 2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -290.679259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.679259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.679259 (E_RNA)
where:
Base-Base interactions energy: -198.383
where: short stacking energy: -80.031
Base-Backbone interact. energy: -0.016
local terms energy: -92.279795
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -26.299
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: 2, replica: 10
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -276.016148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.016148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.016148 (E_RNA)
where:
Base-Base interactions energy: -183.721
where: short stacking energy: -86.724
Base-Backbone interact. energy: -0.004
local terms energy: -92.291055
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -24.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -282.013197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.013197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.013197 (E_RNA)
where:
Base-Base interactions energy: -189.343
where: short stacking energy: -88.950
Base-Backbone interact. energy: -0.079
local terms energy: -92.590702
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -28.631
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: 4, replica: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -229.476992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.476992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.476992 (E_RNA)
where:
Base-Base interactions energy: -151.052
where: short stacking energy: -71.542
Base-Backbone interact. energy: -0.016
local terms energy: -78.409523
where:
bonds (distance) C4'-P energy: -8.356
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -20.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -226.968535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.968535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.968535 (E_RNA)
where:
Base-Base interactions energy: -139.534
where: short stacking energy: -75.349
Base-Backbone interact. energy: -0.335
local terms energy: -87.099403
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -230.758712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.758712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.758712 (E_RNA)
where:
Base-Base interactions energy: -151.909
where: short stacking energy: -79.653
Base-Backbone interact. energy: -0.001
local terms energy: -78.849019
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -3.042
tors. eta vs tors. theta energy: -23.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -214.073814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.073814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.073814 (E_RNA)
where:
Base-Base interactions energy: -132.806
where: short stacking energy: -56.248
Base-Backbone interact. energy: -0.065
local terms energy: -81.201918
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -20.068
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: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -107.825460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.825460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.825460 (E_RNA)
where:
Base-Base interactions energy: -44.121
where: short stacking energy: -27.125
Base-Backbone interact. energy: -0.590
local terms energy: -63.113886
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -0.391
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: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -103.903129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.903129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.903129 (E_RNA)
where:
Base-Base interactions energy: -38.996
where: short stacking energy: -34.645
Base-Backbone interact. energy: -0.091
local terms energy: -64.816407
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -6.799
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: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -98.958736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.958736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.958736 (E_RNA)
where:
Base-Base interactions energy: -34.573
where: short stacking energy: -33.365
Base-Backbone interact. energy: -0.227
local terms energy: -64.158569
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -12.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -290.061578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.061578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.061578 (E_RNA)
where:
Base-Base interactions energy: -197.854
where: short stacking energy: -80.674
Base-Backbone interact. energy: -0.105
local terms energy: -92.102997
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -25.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -283.490008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.490008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.490008 (E_RNA)
where:
Base-Base interactions energy: -187.422
where: short stacking energy: -89.895
Base-Backbone interact. energy: 0.155
local terms energy: -96.223877
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -30.204
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: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -286.276100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.276100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.276100 (E_RNA)
where:
Base-Base interactions energy: -198.395
where: short stacking energy: -81.557
Base-Backbone interact. energy: -0.034
local terms energy: -87.846931
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -23.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -241.292944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.292944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.292944 (E_RNA)
where:
Base-Base interactions energy: -145.753
where: short stacking energy: -67.608
Base-Backbone interact. energy: -0.004
local terms energy: -95.535880
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -219.798383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.798383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.798383 (E_RNA)
where:
Base-Base interactions energy: -138.498
where: short stacking energy: -61.282
Base-Backbone interact. energy: -0.060
local terms energy: -81.240386
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -16.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -239.513543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.513543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.513543 (E_RNA)
where:
Base-Base interactions energy: -165.062
where: short stacking energy: -58.576
Base-Backbone interact. energy: 0.193
local terms energy: -74.644351
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -16.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -213.442552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.442552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.442552 (E_RNA)
where:
Base-Base interactions energy: -144.469
where: short stacking energy: -59.345
Base-Backbone interact. energy: -0.028
local terms energy: -68.946090
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -12.045
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: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -109.152542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.152542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.152542 (E_RNA)
where:
Base-Base interactions energy: -59.375
where: short stacking energy: -48.527
Base-Backbone interact. energy: 1.996
local terms energy: -51.773347
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -8.879
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -10.907
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: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -89.146068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.146068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.146068 (E_RNA)
where:
Base-Base interactions energy: -25.738
where: short stacking energy: -24.455
Base-Backbone interact. energy: -0.049
local terms energy: -63.358905
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -2.033
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: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -95.087752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.087752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.087752 (E_RNA)
where:
Base-Base interactions energy: -37.987
where: short stacking energy: -30.589
Base-Backbone interact. energy: -0.186
local terms energy: -56.915156
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -2.219
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: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -294.364301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.364301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.364301 (E_RNA)
where:
Base-Base interactions energy: -195.952
where: short stacking energy: -80.132
Base-Backbone interact. energy: -0.272
local terms energy: -98.140448
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -26.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -293.838970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.838970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.838970 (E_RNA)
where:
Base-Base interactions energy: -193.870
where: short stacking energy: -86.077
Base-Backbone interact. energy: -0.118
local terms energy: -99.851328
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -19.008
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -27.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -285.013190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.013190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.013190 (E_RNA)
where:
Base-Base interactions energy: -202.174
where: short stacking energy: -86.701
Base-Backbone interact. energy: -0.405
local terms energy: -82.434404
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -26.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -236.684339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.684339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.684339 (E_RNA)
where:
Base-Base interactions energy: -151.519
where: short stacking energy: -72.850
Base-Backbone interact. energy: -0.582
local terms energy: -84.582868
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -23.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -222.767026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.767026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.767026 (E_RNA)
where:
Base-Base interactions energy: -135.605
where: short stacking energy: -66.202
Base-Backbone interact. energy: -0.653
local terms energy: -86.508872
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -208.892250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.892250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.892250 (E_RNA)
where:
Base-Base interactions energy: -131.993
where: short stacking energy: -55.506
Base-Backbone interact. energy: -0.205
local terms energy: -76.694147
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -13.764
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: 5
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -231.129991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.129991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.129991 (E_RNA)
where:
Base-Base interactions energy: -150.424
where: short stacking energy: -71.741
Base-Backbone interact. energy: -0.029
local terms energy: -80.676567
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -24.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -105.330602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.330602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.330602 (E_RNA)
where:
Base-Base interactions energy: -44.461
where: short stacking energy: -44.461
Base-Backbone interact. energy: -0.147
local terms energy: -60.722651
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: -9.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -88.973029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.973029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.973029 (E_RNA)
where:
Base-Base interactions energy: -33.471
where: short stacking energy: -27.370
Base-Backbone interact. energy: -0.191
local terms energy: -55.311144
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -5.578
flat angles P-C4'-P energy: -11.241
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: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -86.139904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.139904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.139904 (E_RNA)
where:
Base-Base interactions energy: -39.753
where: short stacking energy: -25.830
Base-Backbone interact. energy: -0.037
local terms energy: -46.349623
where:
bonds (distance) C4'-P energy: -7.546
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -3.537
tors. eta vs tors. theta energy: -3.534
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: 10
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -293.412091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.412091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.412091 (E_RNA)
where:
Base-Base interactions energy: -195.884
where: short stacking energy: -88.268
Base-Backbone interact. energy: -0.136
local terms energy: -97.392664
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -22.678
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -26.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -287.903267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.903267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.903267 (E_RNA)
where:
Base-Base interactions energy: -197.253
where: short stacking energy: -76.455
Base-Backbone interact. energy: 0.012
local terms energy: -90.662081
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -23.604
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: 3, replica: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -282.404870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.404870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.404870 (E_RNA)
where:
Base-Base interactions energy: -191.327
where: short stacking energy: -78.917
Base-Backbone interact. energy: -0.118
local terms energy: -90.959712
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -28.147
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: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -229.847405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.847405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.847405 (E_RNA)
where:
Base-Base interactions energy: -137.413
where: short stacking energy: -63.770
Base-Backbone interact. energy: -0.138
local terms energy: -92.296722
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -22.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -231.289644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.289644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.289644 (E_RNA)
where:
Base-Base interactions energy: -156.731
where: short stacking energy: -79.145
Base-Backbone interact. energy: -0.006
local terms energy: -74.553040
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -4.980
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: 6, replica: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -210.566299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.566299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.566299 (E_RNA)
where:
Base-Base interactions energy: -137.766
where: short stacking energy: -61.705
Base-Backbone interact. energy: 0.464
local terms energy: -73.264610
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -12.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -237.113417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.113417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.113417 (E_RNA)
where:
Base-Base interactions energy: -165.758
where: short stacking energy: -69.654
Base-Backbone interact. energy: 1.057
local terms energy: -72.412050
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -19.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -102.371590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.371590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.371590 (E_RNA)
where:
Base-Base interactions energy: -39.378
where: short stacking energy: -38.079
Base-Backbone interact. energy: -1.592
local terms energy: -61.401927
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -91.095084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.095084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.095084 (E_RNA)
where:
Base-Base interactions energy: -39.571
where: short stacking energy: -28.651
Base-Backbone interact. energy: -0.823
local terms energy: -50.701307
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -6.760
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: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -89.808167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.808167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.808167 (E_RNA)
where:
Base-Base interactions energy: -31.690
where: short stacking energy: -23.766
Base-Backbone interact. energy: -0.145
local terms energy: -57.973573
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -300.833531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.833531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.833531 (E_RNA)
where:
Base-Base interactions energy: -206.596
where: short stacking energy: -88.373
Base-Backbone interact. energy: -0.025
local terms energy: -94.212524
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -26.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -278.042494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.042494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.042494 (E_RNA)
where:
Base-Base interactions energy: -192.225
where: short stacking energy: -74.007
Base-Backbone interact. energy: -0.909
local terms energy: -84.908281
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -14.045
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: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -286.195188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.195188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.195188 (E_RNA)
where:
Base-Base interactions energy: -183.397
where: short stacking energy: -84.705
Base-Backbone interact. energy: -1.133
local terms energy: -101.665329
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -22.693
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -26.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -240.756792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.756792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.756792 (E_RNA)
where:
Base-Base interactions energy: -156.241
where: short stacking energy: -78.221
Base-Backbone interact. energy: -0.007
local terms energy: -84.508588
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -23.036
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: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -225.819932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.819932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.819932 (E_RNA)
where:
Base-Base interactions energy: -140.339
where: short stacking energy: -58.336
Base-Backbone interact. energy: -0.270
local terms energy: -85.211253
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -17.323
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: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -245.046974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.046974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.046974 (E_RNA)
where:
Base-Base interactions energy: -159.945
where: short stacking energy: -75.668
Base-Backbone interact. energy: -1.262
local terms energy: -83.840328
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -22.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -213.733436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.733436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.733436 (E_RNA)
where:
Base-Base interactions energy: -139.373
where: short stacking energy: -64.680
Base-Backbone interact. energy: -0.220
local terms energy: -74.141379
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -18.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -91.070500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.070500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.070500 (E_RNA)
where:
Base-Base interactions energy: -41.327
where: short stacking energy: -27.235
Base-Backbone interact. energy: 0.294
local terms energy: -50.037223
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: 3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -95.350089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.350089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.350089 (E_RNA)
where:
Base-Base interactions energy: -42.833
where: short stacking energy: -16.308
Base-Backbone interact. energy: -0.262
local terms energy: -52.254595
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -8.647
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -85.977715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.977715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.977715 (E_RNA)
where:
Base-Base interactions energy: -32.206
where: short stacking energy: -32.206
Base-Backbone interact. energy: -0.392
local terms energy: -53.379246
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -8.906
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: 10
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -291.844118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.844118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.844118 (E_RNA)
where:
Base-Base interactions energy: -186.629
where: short stacking energy: -89.423
Base-Backbone interact. energy: -0.043
local terms energy: -105.172114
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -30.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -283.669761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.669761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.669761 (E_RNA)
where:
Base-Base interactions energy: -186.931
where: short stacking energy: -73.539
Base-Backbone interact. energy: -0.100
local terms energy: -96.639004
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -22.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -252.380689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.380689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.380689 (E_RNA)
where:
Base-Base interactions energy: -163.784
where: short stacking energy: -82.283
Base-Backbone interact. energy: -0.012
local terms energy: -88.584472
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -25.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -283.118232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.118232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.118232 (E_RNA)
where:
Base-Base interactions energy: -179.300
where: short stacking energy: -85.839
Base-Backbone interact. energy: -0.105
local terms energy: -103.713477
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -29.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -264.091796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.091796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.091796 (E_RNA)
where:
Base-Base interactions energy: -178.114
where: short stacking energy: -81.335
Base-Backbone interact. energy: -0.005
local terms energy: -85.972556
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: -26.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -228.356391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.356391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.356391 (E_RNA)
where:
Base-Base interactions energy: -144.429
where: short stacking energy: -66.314
Base-Backbone interact. energy: -1.323
local terms energy: -82.604375
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -15.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -215.342369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.342369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.342369 (E_RNA)
where:
Base-Base interactions energy: -133.215
where: short stacking energy: -52.223
Base-Backbone interact. energy: -0.245
local terms energy: -81.882694
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -22.240
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -9.466
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: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -93.249581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.249581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.249581 (E_RNA)
where:
Base-Base interactions energy: -36.886
where: short stacking energy: -36.886
Base-Backbone interact. energy: -0.147
local terms energy: -56.217115
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -91.011481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.011481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.011481 (E_RNA)
where:
Base-Base interactions energy: -36.628
where: short stacking energy: -26.267
Base-Backbone interact. energy: -0.093
local terms energy: -54.290972
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: 0.819
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: 176
Temperature: 1.350000
Total energy: -81.116309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.116309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.116309 (E_RNA)
where:
Base-Base interactions energy: -32.803
where: short stacking energy: -31.860
Base-Backbone interact. energy: 0.041
local terms energy: -48.354384
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -289.855598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.855598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.855598 (E_RNA)
where:
Base-Base interactions energy: -188.754
where: short stacking energy: -96.624
Base-Backbone interact. energy: -0.259
local terms energy: -100.843292
where:
bonds (distance) C4'-P energy: -19.967
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -21.475
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -27.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -287.011992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.011992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.011992 (E_RNA)
where:
Base-Base interactions energy: -198.680
where: short stacking energy: -83.260
Base-Backbone interact. energy: -0.410
local terms energy: -87.921722
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -18.275
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -9.828
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: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -235.727345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.727345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.727345 (E_RNA)
where:
Base-Base interactions energy: -149.453
where: short stacking energy: -69.407
Base-Backbone interact. energy: 0.377
local terms energy: -86.651725
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -19.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -283.264385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.264385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.264385 (E_RNA)
where:
Base-Base interactions energy: -187.417
where: short stacking energy: -85.472
Base-Backbone interact. energy: -0.745
local terms energy: -95.102393
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -20.290
flat angles P-C4'-P energy: -14.795
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: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -270.521624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.521624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.521624 (E_RNA)
where:
Base-Base interactions energy: -182.705
where: short stacking energy: -78.129
Base-Backbone interact. energy: -0.014
local terms energy: -87.802343
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -20.518
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -21.887
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: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -226.564871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.564871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.564871 (E_RNA)
where:
Base-Base interactions energy: -152.176
where: short stacking energy: -74.332
Base-Backbone interact. energy: -0.065
local terms energy: -74.322922
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -238.710047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.710047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.710047 (E_RNA)
where:
Base-Base interactions energy: -162.868
where: short stacking energy: -58.948
Base-Backbone interact. energy: -0.314
local terms energy: -75.527405
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -11.346
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: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -100.206053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.206053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.206053 (E_RNA)
where:
Base-Base interactions energy: -30.923
where: short stacking energy: -30.923
Base-Backbone interact. energy: -0.128
local terms energy: -69.155235
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -91.424689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.424689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.424689 (E_RNA)
where:
Base-Base interactions energy: -37.213
where: short stacking energy: -32.111
Base-Backbone interact. energy: -0.073
local terms energy: -54.139155
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -2.506
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: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -84.506786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.506786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.506786 (E_RNA)
where:
Base-Base interactions energy: -15.532
where: short stacking energy: -9.587
Base-Backbone interact. energy: 0.709
local terms energy: -69.684409
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -292.458111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.458111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.458111 (E_RNA)
where:
Base-Base interactions energy: -205.142
where: short stacking energy: -82.865
Base-Backbone interact. energy: -0.138
local terms energy: -87.177498
where:
bonds (distance) C4'-P energy: -21.390
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -24.309
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: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -286.819265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.819265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.819265 (E_RNA)
where:
Base-Base interactions energy: -198.236
where: short stacking energy: -87.870
Base-Backbone interact. energy: -0.051
local terms energy: -88.531404
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -26.301
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: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -271.480980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.480980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.480980 (E_RNA)
where:
Base-Base interactions energy: -181.942
where: short stacking energy: -72.063
Base-Backbone interact. energy: -0.169
local terms energy: -89.370680
where:
bonds (distance) C4'-P energy: -19.425
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -20.084
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: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -245.806207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.806207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.806207 (E_RNA)
where:
Base-Base interactions energy: -156.450
where: short stacking energy: -83.609
Base-Backbone interact. energy: 0.350
local terms energy: -89.705813
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -10.808
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: 5, replica: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -269.041127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.041127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.041127 (E_RNA)
where:
Base-Base interactions energy: -180.038
where: short stacking energy: -83.795
Base-Backbone interact. energy: -0.294
local terms energy: -88.708622
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: -27.355
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: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -226.163877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.163877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.163877 (E_RNA)
where:
Base-Base interactions energy: -138.053
where: short stacking energy: -73.949
Base-Backbone interact. energy: -0.009
local terms energy: -88.102050
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -23.701
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: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -214.979095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.979095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.979095 (E_RNA)
where:
Base-Base interactions energy: -144.552
where: short stacking energy: -45.933
Base-Backbone interact. energy: -0.240
local terms energy: -70.187186
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -12.260
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: 8, replica: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -94.819110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.819110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.819110 (E_RNA)
where:
Base-Base interactions energy: -37.910
where: short stacking energy: -29.154
Base-Backbone interact. energy: -0.159
local terms energy: -56.750487
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -91.789941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.789941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.789941 (E_RNA)
where:
Base-Base interactions energy: -36.962
where: short stacking energy: -16.377
Base-Backbone interact. energy: -1.670
local terms energy: -53.157118
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -0.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -89.504041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.504041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.504041 (E_RNA)
where:
Base-Base interactions energy: -35.369
where: short stacking energy: -27.235
Base-Backbone interact. energy: -0.328
local terms energy: -53.807093
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -10.211
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -3.060
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: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -297.297172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.297172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.297172 (E_RNA)
where:
Base-Base interactions energy: -201.481
where: short stacking energy: -85.302
Base-Backbone interact. energy: -0.018
local terms energy: -95.798175
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -23.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -292.480169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.480169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.480169 (E_RNA)
where:
Base-Base interactions energy: -200.106
where: short stacking energy: -82.752
Base-Backbone interact. energy: -0.039
local terms energy: -92.334930
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -27.101
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: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -285.002631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.002631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.002631 (E_RNA)
where:
Base-Base interactions energy: -194.456
where: short stacking energy: -84.829
Base-Backbone interact. energy: -0.287
local terms energy: -90.260356
where:
bonds (distance) C4'-P energy: -18.399
bonds (distance) P-C4' energy: -20.761
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -278.077225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.077225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.077225 (E_RNA)
where:
Base-Base interactions energy: -185.388
where: short stacking energy: -80.763
Base-Backbone interact. energy: -0.040
local terms energy: -92.649103
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -24.685
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: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -225.091152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.091152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.091152 (E_RNA)
where:
Base-Base interactions energy: -146.920
where: short stacking energy: -58.395
Base-Backbone interact. energy: 0.009
local terms energy: -78.179854
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -14.459
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: 6, replica: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -208.655984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.655984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.655984 (E_RNA)
where:
Base-Base interactions energy: -133.276
where: short stacking energy: -58.701
Base-Backbone interact. energy: -0.227
local terms energy: -75.152799
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -16.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -217.709147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.709147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.709147 (E_RNA)
where:
Base-Base interactions energy: -145.229
where: short stacking energy: -63.074
Base-Backbone interact. energy: -0.045
local terms energy: -72.434538
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -15.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -93.519843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.519843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.519843 (E_RNA)
where:
Base-Base interactions energy: -36.049
where: short stacking energy: -32.407
Base-Backbone interact. energy: -0.070
local terms energy: -57.400711
where:
bonds (distance) C4'-P energy: -9.294
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -96.616825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.616825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.616825 (E_RNA)
where:
Base-Base interactions energy: -47.138
where: short stacking energy: -37.324
Base-Backbone interact. energy: 1.744
local terms energy: -51.223043
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -98.647187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.647187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.647187 (E_RNA)
where:
Base-Base interactions energy: -36.162
where: short stacking energy: -33.653
Base-Backbone interact. energy: -0.143
local terms energy: -62.342258
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: 0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -296.358241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.358241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.358241 (E_RNA)
where:
Base-Base interactions energy: -210.221
where: short stacking energy: -88.218
Base-Backbone interact. energy: -0.058
local terms energy: -86.079723
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -25.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -285.550713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.550713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.550713 (E_RNA)
where:
Base-Base interactions energy: -191.267
where: short stacking energy: -84.925
Base-Backbone interact. energy: -0.069
local terms energy: -94.214705
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -25.617
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: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -279.601523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.601523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.601523 (E_RNA)
where:
Base-Base interactions energy: -191.281
where: short stacking energy: -75.036
Base-Backbone interact. energy: -0.020
local terms energy: -88.300606
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -21.304
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: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -259.517061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.517061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.517061 (E_RNA)
where:
Base-Base interactions energy: -187.124
where: short stacking energy: -78.014
Base-Backbone interact. energy: -0.215
local terms energy: -72.178177
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -17.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -219.940142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.940142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.940142 (E_RNA)
where:
Base-Base interactions energy: -144.159
where: short stacking energy: -61.216
Base-Backbone interact. energy: -0.093
local terms energy: -75.687536
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -8.042
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: 6, replica: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -217.139517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.139517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.139517 (E_RNA)
where:
Base-Base interactions energy: -137.625
where: short stacking energy: -59.215
Base-Backbone interact. energy: -0.077
local terms energy: -79.438362
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -16.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -213.987379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.987379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.987379 (E_RNA)
where:
Base-Base interactions energy: -139.774
where: short stacking energy: -54.305
Base-Backbone interact. energy: -0.244
local terms energy: -73.969470
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -11.858
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: 8, replica: 6
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -100.055674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.055674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.055674 (E_RNA)
where:
Base-Base interactions energy: -44.069
where: short stacking energy: -36.083
Base-Backbone interact. energy: -0.556
local terms energy: -55.431561
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -3.274
tors. eta vs tors. theta energy: -6.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -96.742206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.742206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.742206 (E_RNA)
where:
Base-Base interactions energy: -33.749
where: short stacking energy: -28.668
Base-Backbone interact. energy: 4.552
local terms energy: -67.545796
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -8.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -91.773785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.773785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.773785 (E_RNA)
where:
Base-Base interactions energy: -30.242
where: short stacking energy: -29.040
Base-Backbone interact. energy: 0.413
local terms energy: -61.944612
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -287.651284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.651284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.651284 (E_RNA)
where:
Base-Base interactions energy: -192.363
where: short stacking energy: -79.254
Base-Backbone interact. energy: -0.493
local terms energy: -94.795090
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -22.085
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: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -287.601187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.601187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.601187 (E_RNA)
where:
Base-Base interactions energy: -201.336
where: short stacking energy: -79.163
Base-Backbone interact. energy: -0.034
local terms energy: -86.231510
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -20.831
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: 7
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -287.426758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.426758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.426758 (E_RNA)
where:
Base-Base interactions energy: -192.076
where: short stacking energy: -89.697
Base-Backbone interact. energy: -0.096
local terms energy: -95.254518
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -19.930
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -25.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -259.951477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.951477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.951477 (E_RNA)
where:
Base-Base interactions energy: -176.215
where: short stacking energy: -64.564
Base-Backbone interact. energy: -0.612
local terms energy: -83.124757
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -19.777
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -20.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -258.600279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.600279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.600279 (E_RNA)
where:
Base-Base interactions energy: -172.696
where: short stacking energy: -67.304
Base-Backbone interact. energy: -0.104
local terms energy: -85.800370
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -20.437
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: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -218.032442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.032442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.032442 (E_RNA)
where:
Base-Base interactions energy: -134.191
where: short stacking energy: -76.058
Base-Backbone interact. energy: -0.047
local terms energy: -83.794502
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -20.646
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -240.783407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.783407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.783407 (E_RNA)
where:
Base-Base interactions energy: -154.969
where: short stacking energy: -68.476
Base-Backbone interact. energy: -0.553
local terms energy: -85.261067
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -146.738664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.738664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.738664 (E_RNA)
where:
Base-Base interactions energy: -78.189
where: short stacking energy: -45.955
Base-Backbone interact. energy: -0.230
local terms energy: -68.319679
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -12.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -97.063244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.063244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.063244 (E_RNA)
where:
Base-Base interactions energy: -44.923
where: short stacking energy: -25.092
Base-Backbone interact. energy: -0.327
local terms energy: -51.813233
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: 2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -98.243352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.243352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.243352 (E_RNA)
where:
Base-Base interactions energy: -40.613
where: short stacking energy: -30.555
Base-Backbone interact. energy: 0.283
local terms energy: -57.912983
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -5.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -295.754758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.754758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.754758 (E_RNA)
where:
Base-Base interactions energy: -201.962
where: short stacking energy: -86.304
Base-Backbone interact. energy: -0.029
local terms energy: -93.763458
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -20.210
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -23.937
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: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -287.792434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.792434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.792434 (E_RNA)
where:
Base-Base interactions energy: -203.363
where: short stacking energy: -86.404
Base-Backbone interact. energy: -0.087
local terms energy: -84.342324
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -11.123
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: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -264.769832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.769832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.769832 (E_RNA)
where:
Base-Base interactions energy: -179.280
where: short stacking energy: -62.502
Base-Backbone interact. energy: -0.098
local terms energy: -85.392098
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -19.177
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -19.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -275.851039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.851039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.851039 (E_RNA)
where:
Base-Base interactions energy: -177.146
where: short stacking energy: -82.829
Base-Backbone interact. energy: -0.040
local terms energy: -98.665261
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -25.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -249.551468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.551468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.551468 (E_RNA)
where:
Base-Base interactions energy: -176.746
where: short stacking energy: -77.300
Base-Backbone interact. energy: -0.009
local terms energy: -72.797229
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -19.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -217.907129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.907129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.907129 (E_RNA)
where:
Base-Base interactions energy: -141.708
where: short stacking energy: -69.347
Base-Backbone interact. energy: -0.339
local terms energy: -75.859225
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -3.840
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -204.880954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.880954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.880954 (E_RNA)
where:
Base-Base interactions energy: -129.987
where: short stacking energy: -56.458
Base-Backbone interact. energy: -0.498
local terms energy: -74.395808
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -13.812
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: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -182.261578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.261578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.261578 (E_RNA)
where:
Base-Base interactions energy: -107.541
where: short stacking energy: -56.343
Base-Backbone interact. energy: -0.011
local terms energy: -74.709429
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -11.208
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -93.693917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.693917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.693917 (E_RNA)
where:
Base-Base interactions energy: -45.479
where: short stacking energy: -35.570
Base-Backbone interact. energy: -0.118
local terms energy: -48.097219
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: 7.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -90.187779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.187779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.187779 (E_RNA)
where:
Base-Base interactions energy: -30.952
where: short stacking energy: -30.952
Base-Backbone interact. energy: 0.117
local terms energy: -59.352718
where:
bonds (distance) C4'-P energy: -8.557
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -4.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -293.924344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.924344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.924344 (E_RNA)
where:
Base-Base interactions energy: -201.675
where: short stacking energy: -87.439
Base-Backbone interact. energy: -0.101
local terms energy: -92.148231
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -25.247
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: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -291.551567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.551567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.551567 (E_RNA)
where:
Base-Base interactions energy: -200.131
where: short stacking energy: -92.785
Base-Backbone interact. energy: -0.001
local terms energy: -91.418683
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -25.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -250.001059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.001059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.001059 (E_RNA)
where:
Base-Base interactions energy: -164.182
where: short stacking energy: -62.574
Base-Backbone interact. energy: -0.092
local terms energy: -85.726907
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -279.417683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.417683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.417683 (E_RNA)
where:
Base-Base interactions energy: -190.015
where: short stacking energy: -90.343
Base-Backbone interact. energy: -0.075
local terms energy: -89.327008
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -25.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -251.385916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.385916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.385916 (E_RNA)
where:
Base-Base interactions energy: -172.830
where: short stacking energy: -79.394
Base-Backbone interact. energy: -0.029
local terms energy: -78.526472
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -23.642
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: 2
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -226.655780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.655780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.655780 (E_RNA)
where:
Base-Base interactions energy: -154.021
where: short stacking energy: -74.908
Base-Backbone interact. energy: -0.005
local terms energy: -72.629928
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -19.057
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -16.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -210.654829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.654829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.654829 (E_RNA)
where:
Base-Base interactions energy: -141.963
where: short stacking energy: -63.058
Base-Backbone interact. energy: -0.062
local terms energy: -68.629918
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -14.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -177.865421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.865421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.865421 (E_RNA)
where:
Base-Base interactions energy: -119.635
where: short stacking energy: -45.441
Base-Backbone interact. energy: -0.464
local terms energy: -57.767068
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -10.322
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -13.620
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: 9, replica: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -94.231822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.231822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.231822 (E_RNA)
where:
Base-Base interactions energy: -33.162
where: short stacking energy: -31.433
Base-Backbone interact. energy: -0.204
local terms energy: -60.865543
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -93.142760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.142760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.142760 (E_RNA)
where:
Base-Base interactions energy: -32.809
where: short stacking energy: -32.809
Base-Backbone interact. energy: -0.019
local terms energy: -60.313971
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -285.936372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.936372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.936372 (E_RNA)
where:
Base-Base interactions energy: -190.031
where: short stacking energy: -88.852
Base-Backbone interact. energy: -0.595
local terms energy: -95.311126
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -24.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -291.184301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.184301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.184301 (E_RNA)
where:
Base-Base interactions energy: -196.504
where: short stacking energy: -94.062
Base-Backbone interact. energy: -0.006
local terms energy: -94.673565
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -27.138
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: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -273.241153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.241153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.241153 (E_RNA)
where:
Base-Base interactions energy: -178.581
where: short stacking energy: -83.317
Base-Backbone interact. energy: -0.095
local terms energy: -94.565753
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -20.272
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -28.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -260.999025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.999025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.999025 (E_RNA)
where:
Base-Base interactions energy: -181.031
where: short stacking energy: -66.890
Base-Backbone interact. energy: 0.606
local terms energy: -80.574326
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -18.450
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: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -274.967199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.967199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.967199 (E_RNA)
where:
Base-Base interactions energy: -180.678
where: short stacking energy: -66.450
Base-Backbone interact. energy: 1.935
local terms energy: -96.224536
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -24.582
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: 6, replica: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -187.708272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.708272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.708272 (E_RNA)
where:
Base-Base interactions energy: -115.540
where: short stacking energy: -57.073
Base-Backbone interact. energy: 0.888
local terms energy: -73.056846
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -9.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -209.606706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.606706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.606706 (E_RNA)
where:
Base-Base interactions energy: -139.186
where: short stacking energy: -60.939
Base-Backbone interact. energy: -0.159
local terms energy: -70.261262
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -9.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -198.056629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.056629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.056629 (E_RNA)
where:
Base-Base interactions energy: -133.148
where: short stacking energy: -49.799
Base-Backbone interact. energy: 2.187
local terms energy: -67.095761
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -10.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -96.744890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.744890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.744890 (E_RNA)
where:
Base-Base interactions energy: -40.124
where: short stacking energy: -33.088
Base-Backbone interact. energy: -0.393
local terms energy: -56.227947
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -100.118160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.118160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.118160 (E_RNA)
where:
Base-Base interactions energy: -47.075
where: short stacking energy: -26.291
Base-Backbone interact. energy: -0.078
local terms energy: -52.964389
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: 1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -291.930834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.930834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.930834 (E_RNA)
where:
Base-Base interactions energy: -193.081
where: short stacking energy: -92.936
Base-Backbone interact. energy: 0.890
local terms energy: -99.739935
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -23.827
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: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -291.586233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.586233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.586233 (E_RNA)
where:
Base-Base interactions energy: -192.986
where: short stacking energy: -94.467
Base-Backbone interact. energy: -0.596
local terms energy: -98.004338
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -27.452
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: 3
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -286.333732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.333732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.333732 (E_RNA)
where:
Base-Base interactions energy: -192.708
where: short stacking energy: -86.111
Base-Backbone interact. energy: -0.083
local terms energy: -93.542870
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -22.963
flat angles P-C4'-P energy: -15.473
tors. eta vs tors. theta energy: -26.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -279.111739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.111739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.111739 (E_RNA)
where:
Base-Base interactions energy: -189.670
where: short stacking energy: -87.330
Base-Backbone interact. energy: -0.014
local terms energy: -89.428424
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -25.992
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: 8
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -263.642835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.642835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.642835 (E_RNA)
where:
Base-Base interactions energy: -177.614
where: short stacking energy: -65.704
Base-Backbone interact. energy: -0.927
local terms energy: -85.102383
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -192.001993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.001993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.001993 (E_RNA)
where:
Base-Base interactions energy: -112.471
where: short stacking energy: -58.992
Base-Backbone interact. energy: 0.790
local terms energy: -80.320183
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -200.195493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.195493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.195493 (E_RNA)
where:
Base-Base interactions energy: -126.479
where: short stacking energy: -54.890
Base-Backbone interact. energy: -0.589
local terms energy: -73.127732
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -14.276
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: 8, replica: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -204.966917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.966917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.966917 (E_RNA)
where:
Base-Base interactions energy: -131.443
where: short stacking energy: -60.368
Base-Backbone interact. energy: 2.089
local terms energy: -75.613520
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -10.053
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: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -96.557325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.557325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.557325 (E_RNA)
where:
Base-Base interactions energy: -41.262
where: short stacking energy: -34.780
Base-Backbone interact. energy: -0.803
local terms energy: -54.493057
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -88.481813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.481813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.481813 (E_RNA)
where:
Base-Base interactions energy: -31.878
where: short stacking energy: -20.701
Base-Backbone interact. energy: -0.402
local terms energy: -56.201805
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: 0.516
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: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -292.859166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.859166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.859166 (E_RNA)
where:
Base-Base interactions energy: -191.530
where: short stacking energy: -86.678
Base-Backbone interact. energy: -0.023
local terms energy: -101.306041
where:
bonds (distance) C4'-P energy: -21.809
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -18.645
tors. eta vs tors. theta energy: -24.170
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: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -289.769727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.769727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.769727 (E_RNA)
where:
Base-Base interactions energy: -188.764
where: short stacking energy: -88.565
Base-Backbone interact. energy: -0.005
local terms energy: -101.001012
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -20.973
flat angles P-C4'-P energy: -14.248
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: 3, replica: 10
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -256.115515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.115515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.115515 (E_RNA)
where:
Base-Base interactions energy: -170.261
where: short stacking energy: -60.303
Base-Backbone interact. energy: -0.405
local terms energy: -85.449873
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -265.094344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.094344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.094344 (E_RNA)
where:
Base-Base interactions energy: -177.829
where: short stacking energy: -78.578
Base-Backbone interact. energy: -0.055
local terms energy: -87.210541
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -267.046135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.046135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.046135 (E_RNA)
where:
Base-Base interactions energy: -175.275
where: short stacking energy: -68.312
Base-Backbone interact. energy: -0.050
local terms energy: -91.721157
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -24.869
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: 186
Temperature: 1.150000
Total energy: -210.596341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.596341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.596341 (E_RNA)
where:
Base-Base interactions energy: -134.946
where: short stacking energy: -54.635
Base-Backbone interact. energy: 0.458
local terms energy: -76.107946
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -10.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -174.214251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.214251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.214251 (E_RNA)
where:
Base-Base interactions energy: -102.916
where: short stacking energy: -43.687
Base-Backbone interact. energy: 0.273
local terms energy: -71.571115
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -13.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -198.259458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.259458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.259458 (E_RNA)
where:
Base-Base interactions energy: -130.747
where: short stacking energy: -61.301
Base-Backbone interact. energy: -0.155
local terms energy: -67.358074
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -7.132
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: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -104.712633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.712633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.712633 (E_RNA)
where:
Base-Base interactions energy: -35.325
where: short stacking energy: -22.621
Base-Backbone interact. energy: -1.131
local terms energy: -68.256296
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -85.551279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.551279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.551279 (E_RNA)
where:
Base-Base interactions energy: -44.861
where: short stacking energy: -28.438
Base-Backbone interact. energy: -0.234
local terms energy: -40.455968
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -1.906
tors. eta vs tors. theta energy: 4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -295.556082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.556082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.556082 (E_RNA)
where:
Base-Base interactions energy: -193.392
where: short stacking energy: -94.672
Base-Backbone interact. energy: 0.633
local terms energy: -102.797330
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -27.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -286.554304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.554304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.554304 (E_RNA)
where:
Base-Base interactions energy: -191.177
where: short stacking energy: -91.216
Base-Backbone interact. energy: -0.008
local terms energy: -95.369820
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -17.369
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -25.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -261.468389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.468389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.468389 (E_RNA)
where:
Base-Base interactions energy: -178.748
where: short stacking energy: -68.297
Base-Backbone interact. energy: -0.517
local terms energy: -82.202724
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -22.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -278.107082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.107082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.107082 (E_RNA)
where:
Base-Base interactions energy: -191.889
where: short stacking energy: -71.420
Base-Backbone interact. energy: -0.247
local terms energy: -85.971824
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -21.903
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: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -259.212987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.212987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.212987 (E_RNA)
where:
Base-Base interactions energy: -179.972
where: short stacking energy: -65.155
Base-Backbone interact. energy: 2.204
local terms energy: -81.445059
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -20.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -215.247194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.247194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.247194 (E_RNA)
where:
Base-Base interactions energy: -142.205
where: short stacking energy: -59.285
Base-Backbone interact. energy: -0.274
local terms energy: -72.768535
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -10.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -180.109844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.109844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.109844 (E_RNA)
where:
Base-Base interactions energy: -110.308
where: short stacking energy: -41.626
Base-Backbone interact. energy: -0.802
local terms energy: -68.999980
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -100.506430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.506430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.506430 (E_RNA)
where:
Base-Base interactions energy: -36.251
where: short stacking energy: -33.641
Base-Backbone interact. energy: -1.515
local terms energy: -62.741015
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -7.313
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -9.963
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: 9, replica: 2
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -207.988261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.988261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.988261 (E_RNA)
where:
Base-Base interactions energy: -131.026
where: short stacking energy: -59.055
Base-Backbone interact. energy: -0.150
local terms energy: -76.812668
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -20.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -91.878210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.878210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.878210 (E_RNA)
where:
Base-Base interactions energy: -23.242
where: short stacking energy: -23.242
Base-Backbone interact. energy: -0.105
local terms energy: -68.530643
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -7.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -289.892877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.892877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.892877 (E_RNA)
where:
Base-Base interactions energy: -190.372
where: short stacking energy: -89.979
Base-Backbone interact. energy: -0.017
local terms energy: -99.504194
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -27.839
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: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -281.843106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.843106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.843106 (E_RNA)
where:
Base-Base interactions energy: -186.893
where: short stacking energy: -88.182
Base-Backbone interact. energy: -0.005
local terms energy: -94.945177
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -21.506
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -26.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -270.465622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.465622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.465622 (E_RNA)
where:
Base-Base interactions energy: -188.479
where: short stacking energy: -79.568
Base-Backbone interact. energy: 0.325
local terms energy: -82.311087
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -21.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -285.610863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.610863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.610863 (E_RNA)
where:
Base-Base interactions energy: -196.748
where: short stacking energy: -77.506
Base-Backbone interact. energy: -0.148
local terms energy: -88.714054
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -24.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -263.814335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.814335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.814335 (E_RNA)
where:
Base-Base interactions energy: -180.220
where: short stacking energy: -72.927
Base-Backbone interact. energy: -0.065
local terms energy: -83.529837
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -20.127
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: 6, replica: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -223.913276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.913276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.913276 (E_RNA)
where:
Base-Base interactions energy: -150.473
where: short stacking energy: -60.553
Base-Backbone interact. energy: -0.493
local terms energy: -72.947956
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -16.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -218.769020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.769020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.769020 (E_RNA)
where:
Base-Base interactions energy: -141.888
where: short stacking energy: -63.769
Base-Backbone interact. energy: -0.494
local terms energy: -76.386376
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -16.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -93.207395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.207395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.207395 (E_RNA)
where:
Base-Base interactions energy: -36.701
where: short stacking energy: -24.843
Base-Backbone interact. energy: 0.331
local terms energy: -56.836529
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: 5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -188.946488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.946488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.946488 (E_RNA)
where:
Base-Base interactions energy: -128.693
where: short stacking energy: -50.840
Base-Backbone interact. energy: -0.706
local terms energy: -59.547484
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -14.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -94.560725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.560725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.560725 (E_RNA)
where:
Base-Base interactions energy: -33.226
where: short stacking energy: -29.859
Base-Backbone interact. energy: -0.132
local terms energy: -61.203159
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -288.511462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.511462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.511462 (E_RNA)
where:
Base-Base interactions energy: -192.255
where: short stacking energy: -89.785
Base-Backbone interact. energy: 0.458
local terms energy: -96.714277
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -18.310
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -25.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -286.846078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.846078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.846078 (E_RNA)
where:
Base-Base interactions energy: -185.907
where: short stacking energy: -86.334
Base-Backbone interact. energy: -0.723
local terms energy: -100.216263
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -20.771
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -28.759
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: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -265.232270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.232270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.232270 (E_RNA)
where:
Base-Base interactions energy: -186.051
where: short stacking energy: -69.588
Base-Backbone interact. energy: -0.136
local terms energy: -79.044813
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -21.422
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: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -271.843359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.843359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.843359 (E_RNA)
where:
Base-Base interactions energy: -182.446
where: short stacking energy: -71.884
Base-Backbone interact. energy: -0.014
local terms energy: -89.383082
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -23.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -258.212358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.212358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.212358 (E_RNA)
where:
Base-Base interactions energy: -178.289
where: short stacking energy: -79.175
Base-Backbone interact. energy: -0.083
local terms energy: -79.839938
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -17.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -241.884329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.884329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.884329 (E_RNA)
where:
Base-Base interactions energy: -160.133
where: short stacking energy: -72.702
Base-Backbone interact. energy: -0.083
local terms energy: -81.668412
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -24.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -213.165015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.165015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.165015 (E_RNA)
where:
Base-Base interactions energy: -142.097
where: short stacking energy: -64.844
Base-Backbone interact. energy: 0.000
local terms energy: -71.068160
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -165.188682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.188682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.188682 (E_RNA)
where:
Base-Base interactions energy: -99.888
where: short stacking energy: -47.319
Base-Backbone interact. energy: -0.193
local terms energy: -65.106780
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -11.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -87.520927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.520927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.520927 (E_RNA)
where:
Base-Base interactions energy: -32.399
where: short stacking energy: -32.399
Base-Backbone interact. energy: -0.286
local terms energy: -54.835788
where:
bonds (distance) C4'-P energy: -2.656
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -15.529
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: 10, replica: 1
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -87.944623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.944623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.944623 (E_RNA)
where:
Base-Base interactions energy: -34.318
where: short stacking energy: -34.318
Base-Backbone interact. energy: 1.444
local terms energy: -55.071256
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -10.212
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -6.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -288.935861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.935861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.935861 (E_RNA)
where:
Base-Base interactions energy: -192.053
where: short stacking energy: -87.729
Base-Backbone interact. energy: -0.000
local terms energy: -96.883046
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -28.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -286.317349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.317349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.317349 (E_RNA)
where:
Base-Base interactions energy: -190.742
where: short stacking energy: -89.974
Base-Backbone interact. energy: -0.105
local terms energy: -95.470589
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -26.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -288.368126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.368126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.368126 (E_RNA)
where:
Base-Base interactions energy: -194.526
where: short stacking energy: -74.915
Base-Backbone interact. energy: -0.036
local terms energy: -93.806229
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -26.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -258.177387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.177387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.177387 (E_RNA)
where:
Base-Base interactions energy: -173.786
where: short stacking energy: -72.257
Base-Backbone interact. energy: -0.413
local terms energy: -83.979063
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -20.095
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: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -267.839915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.839915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.839915 (E_RNA)
where:
Base-Base interactions energy: -179.888
where: short stacking energy: -85.009
Base-Backbone interact. energy: -0.027
local terms energy: -87.925002
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -23.829
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: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -234.254794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.254794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.254794 (E_RNA)
where:
Base-Base interactions energy: -148.452
where: short stacking energy: -66.702
Base-Backbone interact. energy: -0.688
local terms energy: -85.115155
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -108.944093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.944093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.944093 (E_RNA)
where:
Base-Base interactions energy: -44.903
where: short stacking energy: -41.169
Base-Backbone interact. energy: -0.180
local terms energy: -63.860697
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -7.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -180.456975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.456975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.456975 (E_RNA)
where:
Base-Base interactions energy: -119.519
where: short stacking energy: -46.287
Base-Backbone interact. energy: -0.119
local terms energy: -60.819558
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -93.462471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.462471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.462471 (E_RNA)
where:
Base-Base interactions energy: -37.659
where: short stacking energy: -31.066
Base-Backbone interact. energy: -0.857
local terms energy: -54.946492
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -78.399136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.399136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.399136 (E_RNA)
where:
Base-Base interactions energy: -28.447
where: short stacking energy: -28.447
Base-Backbone interact. energy: 1.328
local terms energy: -51.279816
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -288.543932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.543932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.543932 (E_RNA)
where:
Base-Base interactions energy: -194.837
where: short stacking energy: -82.915
Base-Backbone interact. energy: -0.082
local terms energy: -93.625076
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -26.963
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: 2, replica: 10
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -293.045055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.045055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.045055 (E_RNA)
where:
Base-Base interactions energy: -195.056
where: short stacking energy: -84.819
Base-Backbone interact. energy: -0.003
local terms energy: -97.985838
where:
bonds (distance) C4'-P energy: -20.698
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -25.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -283.595336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.595336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.595336 (E_RNA)
where:
Base-Base interactions energy: -189.391
where: short stacking energy: -76.601
Base-Backbone interact. energy: -0.199
local terms energy: -94.005008
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -24.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -276.018762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.018762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.018762 (E_RNA)
where:
Base-Base interactions energy: -185.709
where: short stacking energy: -79.056
Base-Backbone interact. energy: -0.928
local terms energy: -89.381218
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -19.320
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -25.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -259.337849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.337849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.337849 (E_RNA)
where:
Base-Base interactions energy: -180.870
where: short stacking energy: -76.970
Base-Backbone interact. energy: -0.218
local terms energy: -78.250567
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -20.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -222.981873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.981873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.981873 (E_RNA)
where:
Base-Base interactions energy: -146.684
where: short stacking energy: -67.583
Base-Backbone interact. energy: -0.009
local terms energy: -76.289389
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -18.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -105.234348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.234348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.234348 (E_RNA)
where:
Base-Base interactions energy: -39.745
where: short stacking energy: -39.745
Base-Backbone interact. energy: -0.091
local terms energy: -65.398022
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -8.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -101.685926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.685926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.685926 (E_RNA)
where:
Base-Base interactions energy: -47.696
where: short stacking energy: -42.275
Base-Backbone interact. energy: -0.092
local terms energy: -53.898170
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -9.877
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -2.984
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: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -213.093616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.093616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.093616 (E_RNA)
where:
Base-Base interactions energy: -137.309
where: short stacking energy: -70.543
Base-Backbone interact. energy: -0.014
local terms energy: -75.770051
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -22.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -95.463931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.463931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.463931 (E_RNA)
where:
Base-Base interactions energy: -27.171
where: short stacking energy: -27.171
Base-Backbone interact. energy: -0.165
local terms energy: -68.127657
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -3.270
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: 1, replica: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -299.445282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.445282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.445282 (E_RNA)
where:
Base-Base interactions energy: -204.854
where: short stacking energy: -83.972
Base-Backbone interact. energy: -0.282
local terms energy: -94.309641
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -24.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -292.974293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.974293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.974293 (E_RNA)
where:
Base-Base interactions energy: -201.665
where: short stacking energy: -85.315
Base-Backbone interact. energy: -0.031
local terms energy: -91.278305
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -24.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -285.507478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.507478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.507478 (E_RNA)
where:
Base-Base interactions energy: -194.453
where: short stacking energy: -75.936
Base-Backbone interact. energy: 1.470
local terms energy: -92.525103
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -15.473
tors. eta vs tors. theta energy: -20.411
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: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -283.677774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.677774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.677774 (E_RNA)
where:
Base-Base interactions energy: -200.762
where: short stacking energy: -79.650
Base-Backbone interact. energy: -0.021
local terms energy: -82.894955
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -21.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -229.786353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.786353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.786353 (E_RNA)
where:
Base-Base interactions energy: -147.741
where: short stacking energy: -72.991
Base-Backbone interact. energy: -0.358
local terms energy: -81.687676
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -217.127968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.127968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.127968 (E_RNA)
where:
Base-Base interactions energy: -134.022
where: short stacking energy: -59.888
Base-Backbone interact. energy: 0.430
local terms energy: -83.536775
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -12.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -106.931325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.931325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.931325 (E_RNA)
where:
Base-Base interactions energy: -45.138
where: short stacking energy: -24.262
Base-Backbone interact. energy: -0.562
local terms energy: -61.231006
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: 0.237
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: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -95.634612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.634612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.634612 (E_RNA)
where:
Base-Base interactions energy: -38.424
where: short stacking energy: -38.424
Base-Backbone interact. energy: -0.085
local terms energy: -57.125443
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -6.039
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: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -197.490530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.490530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.490530 (E_RNA)
where:
Base-Base interactions energy: -122.610
where: short stacking energy: -41.512
Base-Backbone interact. energy: -0.160
local terms energy: -74.720565
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -8.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -93.290982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.290982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.290982 (E_RNA)
where:
Base-Base interactions energy: -36.639
where: short stacking energy: -36.639
Base-Backbone interact. energy: 0.057
local terms energy: -56.709244
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: 0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -298.825417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.825417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.825417 (E_RNA)
where:
Base-Base interactions energy: -200.414
where: short stacking energy: -82.717
Base-Backbone interact. energy: -0.107
local terms energy: -98.305080
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -24.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -289.233643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.233643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.233643 (E_RNA)
where:
Base-Base interactions energy: -199.335
where: short stacking energy: -81.039
Base-Backbone interact. energy: -0.712
local terms energy: -89.187283
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -26.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -279.823576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.823576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.823576 (E_RNA)
where:
Base-Base interactions energy: -187.335
where: short stacking energy: -82.063
Base-Backbone interact. energy: -0.002
local terms energy: -92.487498
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -20.209
flat angles P-C4'-P energy: -12.319
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: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -272.953340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.953340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.953340 (E_RNA)
where:
Base-Base interactions energy: -184.906
where: short stacking energy: -77.653
Base-Backbone interact. energy: 0.343
local terms energy: -88.390788
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -20.568
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -19.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -217.796547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.796547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.796547 (E_RNA)
where:
Base-Base interactions energy: -137.607
where: short stacking energy: -63.849
Base-Backbone interact. energy: -0.123
local terms energy: -80.066264
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -18.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -215.747182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.747182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.747182 (E_RNA)
where:
Base-Base interactions energy: -141.470
where: short stacking energy: -66.176
Base-Backbone interact. energy: -0.431
local terms energy: -73.845890
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -128.219595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.219595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.219595 (E_RNA)
where:
Base-Base interactions energy: -67.142
where: short stacking energy: -31.325
Base-Backbone interact. energy: 1.506
local terms energy: -62.583280
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: 0.144
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: 193
Temperature: 1.250000
Total energy: -211.404344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.404344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.404344 (E_RNA)
where:
Base-Base interactions energy: -137.850
where: short stacking energy: -67.181
Base-Backbone interact. energy: -0.134
local terms energy: -73.421068
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -22.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -106.860673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.860673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.860673 (E_RNA)
where:
Base-Base interactions energy: -54.798
where: short stacking energy: -34.712
Base-Backbone interact. energy: -0.585
local terms energy: -51.477901
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -6.107
flat angles P-C4'-P energy: -4.249
tors. eta vs tors. theta energy: -5.013
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: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -91.299312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.299312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.299312 (E_RNA)
where:
Base-Base interactions energy: -36.727
where: short stacking energy: -36.727
Base-Backbone interact. energy: -0.154
local terms energy: -54.417918
where:
bonds (distance) C4'-P energy: -7.669
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -4.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -302.058635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.058635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.058635 (E_RNA)
where:
Base-Base interactions energy: -206.110
where: short stacking energy: -91.201
Base-Backbone interact. energy: -0.103
local terms energy: -95.845979
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -25.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -294.648555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.648555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.648555 (E_RNA)
where:
Base-Base interactions energy: -204.592
where: short stacking energy: -84.703
Base-Backbone interact. energy: -0.132
local terms energy: -89.924937
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -23.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -278.480633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.480633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.480633 (E_RNA)
where:
Base-Base interactions energy: -190.949
where: short stacking energy: -77.590
Base-Backbone interact. energy: -0.037
local terms energy: -87.495103
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -12.866
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: 4, replica: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -272.813349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.813349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.813349 (E_RNA)
where:
Base-Base interactions energy: -190.208
where: short stacking energy: -85.672
Base-Backbone interact. energy: -0.464
local terms energy: -82.141239
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -24.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -239.819058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.819058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.819058 (E_RNA)
where:
Base-Base interactions energy: -147.145
where: short stacking energy: -73.121
Base-Backbone interact. energy: -0.058
local terms energy: -92.615728
where:
bonds (distance) C4'-P energy: -19.004
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -23.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -222.022469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.022469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.022469 (E_RNA)
where:
Base-Base interactions energy: -137.930
where: short stacking energy: -60.732
Base-Backbone interact. energy: -0.010
local terms energy: -84.081945
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -23.272
flat angles P-C4'-P energy: -4.280
tors. eta vs tors. theta energy: -19.321
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: 9
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -216.829760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.829760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.829760 (E_RNA)
where:
Base-Base interactions energy: -138.576
where: short stacking energy: -68.335
Base-Backbone interact. energy: -0.005
local terms energy: -78.248692
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -19.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -102.734716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.734716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.734716 (E_RNA)
where:
Base-Base interactions energy: -39.592
where: short stacking energy: -34.065
Base-Backbone interact. energy: -0.400
local terms energy: -62.743063
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -96.777438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.777438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.777438 (E_RNA)
where:
Base-Base interactions energy: -32.214
where: short stacking energy: -32.214
Base-Backbone interact. energy: -0.253
local terms energy: -64.309995
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -5.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -87.707774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.707774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.707774 (E_RNA)
where:
Base-Base interactions energy: -32.047
where: short stacking energy: -32.047
Base-Backbone interact. energy: -0.819
local terms energy: -54.842294
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -1.376
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: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -291.722609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.722609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.722609 (E_RNA)
where:
Base-Base interactions energy: -194.647
where: short stacking energy: -82.558
Base-Backbone interact. energy: -0.078
local terms energy: -96.997569
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -15.155
tors. eta vs tors. theta energy: -27.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -278.189409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.189409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.189409 (E_RNA)
where:
Base-Base interactions energy: -190.439
where: short stacking energy: -76.548
Base-Backbone interact. energy: -1.981
local terms energy: -85.768875
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -19.504
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: 5
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -288.917720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.917720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.917720 (E_RNA)
where:
Base-Base interactions energy: -187.189
where: short stacking energy: -76.394
Base-Backbone interact. energy: -0.324
local terms energy: -101.405091
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -20.010
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -22.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -272.882030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.882030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.882030 (E_RNA)
where:
Base-Base interactions energy: -177.414
where: short stacking energy: -76.079
Base-Backbone interact. energy: -0.213
local terms energy: -95.255020
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -26.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -230.988649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.988649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.988649 (E_RNA)
where:
Base-Base interactions energy: -147.405
where: short stacking energy: -63.063
Base-Backbone interact. energy: -0.162
local terms energy: -83.422146
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -224.848913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.848913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.848913 (E_RNA)
where:
Base-Base interactions energy: -148.293
where: short stacking energy: -72.596
Base-Backbone interact. energy: 0.290
local terms energy: -76.845581
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -16.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -222.868689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.868689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.868689 (E_RNA)
where:
Base-Base interactions energy: -147.173
where: short stacking energy: -64.866
Base-Backbone interact. energy: -0.158
local terms energy: -75.537642
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -16.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -121.933392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.933392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.933392 (E_RNA)
where:
Base-Base interactions energy: -67.966
where: short stacking energy: -38.182
Base-Backbone interact. energy: 0.037
local terms energy: -54.004787
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -4.505
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: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -101.176717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.176717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.176717 (E_RNA)
where:
Base-Base interactions energy: -33.073
where: short stacking energy: -26.137
Base-Backbone interact. energy: -0.479
local terms energy: -67.624597
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -5.231
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: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -92.893633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.893633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.893633 (E_RNA)
where:
Base-Base interactions energy: -44.078
where: short stacking energy: -30.829
Base-Backbone interact. energy: 1.173
local terms energy: -49.989177
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -4.472
tors. eta vs tors. theta energy: 0.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -291.721100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.721100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.721100 (E_RNA)
where:
Base-Base interactions energy: -195.000
where: short stacking energy: -92.558
Base-Backbone interact. energy: -0.025
local terms energy: -96.696085
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -20.234
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -27.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -286.163140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.163140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.163140 (E_RNA)
where:
Base-Base interactions energy: -188.443
where: short stacking energy: -81.935
Base-Backbone interact. energy: 0.711
local terms energy: -98.430817
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -24.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -277.540337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.540337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.540337 (E_RNA)
where:
Base-Base interactions energy: -182.401
where: short stacking energy: -79.036
Base-Backbone interact. energy: -0.019
local terms energy: -95.120299
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -21.146
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -24.003
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: 196
Temperature: 1.050000
Total energy: -275.969555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.969555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.969555 (E_RNA)
where:
Base-Base interactions energy: -186.900
where: short stacking energy: -80.027
Base-Backbone interact. energy: -0.121
local terms energy: -88.949336
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -20.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -219.177324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.177324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.177324 (E_RNA)
where:
Base-Base interactions energy: -145.593
where: short stacking energy: -63.141
Base-Backbone interact. energy: -0.146
local terms energy: -73.437964
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -13.117
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: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -216.310359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.310359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.310359 (E_RNA)
where:
Base-Base interactions energy: -131.385
where: short stacking energy: -58.818
Base-Backbone interact. energy: 0.638
local terms energy: -85.563963
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -21.989
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -14.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -218.279429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.279429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.279429 (E_RNA)
where:
Base-Base interactions energy: -141.017
where: short stacking energy: -61.080
Base-Backbone interact. energy: -0.122
local terms energy: -77.139978
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -104.852460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.852460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.852460 (E_RNA)
where:
Base-Base interactions energy: -51.775
where: short stacking energy: -33.504
Base-Backbone interact. energy: -0.869
local terms energy: -52.208984
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: 5.188
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: 9, replica: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -93.399965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.399965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.399965 (E_RNA)
where:
Base-Base interactions energy: -40.165
where: short stacking energy: -28.217
Base-Backbone interact. energy: -0.397
local terms energy: -52.837206
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -6.457
flat angles P-C4'-P energy: -4.022
tors. eta vs tors. theta energy: -6.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -95.923970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.923970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.923970 (E_RNA)
where:
Base-Base interactions energy: -38.688
where: short stacking energy: -27.106
Base-Backbone interact. energy: -1.284
local terms energy: -55.951698
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -12.152
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: 197
Temperature: 0.900000
Total energy: -279.806926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.806926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.806926 (E_RNA)
where:
Base-Base interactions energy: -189.216
where: short stacking energy: -91.100
Base-Backbone interact. energy: 0.568
local terms energy: -91.158894
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -15.951
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: 2, replica: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -284.060932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.060932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.060932 (E_RNA)
where:
Base-Base interactions energy: -195.503
where: short stacking energy: -81.409
Base-Backbone interact. energy: 0.196
local terms energy: -88.754519
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -20.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -283.241557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.241557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.241557 (E_RNA)
where:
Base-Base interactions energy: -185.324
where: short stacking energy: -86.237
Base-Backbone interact. energy: -0.180
local terms energy: -97.737218
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -17.835
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -28.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -267.449787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.449787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.449787 (E_RNA)
where:
Base-Base interactions energy: -177.667
where: short stacking energy: -78.637
Base-Backbone interact. energy: -0.033
local terms energy: -89.749704
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -27.649
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: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -213.624378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.624378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.624378 (E_RNA)
where:
Base-Base interactions energy: -127.817
where: short stacking energy: -55.654
Base-Backbone interact. energy: -0.665
local terms energy: -85.142510
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -226.222152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.222152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.222152 (E_RNA)
where:
Base-Base interactions energy: -142.664
where: short stacking energy: -63.204
Base-Backbone interact. energy: 0.166
local terms energy: -83.723595
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -17.901
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: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -211.668031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.668031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.668031 (E_RNA)
where:
Base-Base interactions energy: -133.690
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.030
local terms energy: -77.948441
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -112.957381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.957381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.957381 (E_RNA)
where:
Base-Base interactions energy: -51.582
where: short stacking energy: -35.136
Base-Backbone interact. energy: -0.151
local terms energy: -61.224026
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -5.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -87.275978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.275978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.275978 (E_RNA)
where:
Base-Base interactions energy: -29.516
where: short stacking energy: -24.175
Base-Backbone interact. energy: -0.135
local terms energy: -57.625495
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: 0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -91.097385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.097385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.097385 (E_RNA)
where:
Base-Base interactions energy: -32.473
where: short stacking energy: -14.403
Base-Backbone interact. energy: -0.306
local terms energy: -58.318853
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: 2.902
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: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -293.935649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.935649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.935649 (E_RNA)
where:
Base-Base interactions energy: -200.778
where: short stacking energy: -92.313
Base-Backbone interact. energy: -0.087
local terms energy: -93.070871
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -26.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -282.173793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.173793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.173793 (E_RNA)
where:
Base-Base interactions energy: -183.522
where: short stacking energy: -93.307
Base-Backbone interact. energy: -0.015
local terms energy: -98.637152
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -28.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -279.851069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.851069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.851069 (E_RNA)
where:
Base-Base interactions energy: -185.819
where: short stacking energy: -83.497
Base-Backbone interact. energy: -0.179
local terms energy: -93.852991
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -20.636
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -24.640
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: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -279.490279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.490279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.490279 (E_RNA)
where:
Base-Base interactions energy: -184.685
where: short stacking energy: -86.633
Base-Backbone interact. energy: -2.375
local terms energy: -92.431037
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -24.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -228.995186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.995186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.995186 (E_RNA)
where:
Base-Base interactions energy: -144.244
where: short stacking energy: -60.654
Base-Backbone interact. energy: -0.136
local terms energy: -84.615766
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -205.643318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.643318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.643318 (E_RNA)
where:
Base-Base interactions energy: -135.444
where: short stacking energy: -59.795
Base-Backbone interact. energy: 0.364
local terms energy: -70.563099
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -14.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -210.754502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.754502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.754502 (E_RNA)
where:
Base-Base interactions energy: -137.134
where: short stacking energy: -61.547
Base-Backbone interact. energy: 0.139
local terms energy: -73.759542
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -17.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -114.581824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.581824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.581824 (E_RNA)
where:
Base-Base interactions energy: -44.181
where: short stacking energy: -32.325
Base-Backbone interact. energy: -0.387
local terms energy: -70.014153
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -5.124
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: 2
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -96.992740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.992740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.992740 (E_RNA)
where:
Base-Base interactions energy: -45.565
where: short stacking energy: -34.439
Base-Backbone interact. energy: -0.328
local terms energy: -51.099628
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -4.142
tors. eta vs tors. theta energy: -1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -99.149610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.149610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.149610 (E_RNA)
where:
Base-Base interactions energy: -48.039
where: short stacking energy: -29.639
Base-Backbone interact. energy: -0.246
local terms energy: -50.864611
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: 4.906
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: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -288.507489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.507489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.507489 (E_RNA)
where:
Base-Base interactions energy: -194.009
where: short stacking energy: -90.986
Base-Backbone interact. energy: -0.136
local terms energy: -94.362896
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -27.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -287.757748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.757748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.757748 (E_RNA)
where:
Base-Base interactions energy: -192.429
where: short stacking energy: -81.530
Base-Backbone interact. energy: -0.019
local terms energy: -95.309805
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -19.600
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -27.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -281.106367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.106367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.106367 (E_RNA)
where:
Base-Base interactions energy: -187.606
where: short stacking energy: -80.075
Base-Backbone interact. energy: -0.715
local terms energy: -92.785044
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -23.432
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: 7
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -284.017678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.017678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.017678 (E_RNA)
where:
Base-Base interactions energy: -190.637
where: short stacking energy: -86.042
Base-Backbone interact. energy: -0.172
local terms energy: -93.208100
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -26.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -232.246463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.246463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.246463 (E_RNA)
where:
Base-Base interactions energy: -151.766
where: short stacking energy: -55.107
Base-Backbone interact. energy: -0.028
local terms energy: -80.452447
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -15.632
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: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -214.539935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.539935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.539935 (E_RNA)
where:
Base-Base interactions energy: -135.069
where: short stacking energy: -60.613
Base-Backbone interact. energy: -0.001
local terms energy: -79.469495
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -16.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -175.124257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.124257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.124257 (E_RNA)
where:
Base-Base interactions energy: -99.899
where: short stacking energy: -50.093
Base-Backbone interact. energy: -0.078
local terms energy: -75.147919
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -8.975
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: 2
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -99.621652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.621652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.621652 (E_RNA)
where:
Base-Base interactions energy: -43.408
where: short stacking energy: -28.039
Base-Backbone interact. energy: -0.222
local terms energy: -55.991578
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -2.440
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: 9, replica: 1
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -94.921339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.921339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.921339 (E_RNA)
where:
Base-Base interactions energy: -48.756
where: short stacking energy: -33.686
Base-Backbone interact. energy: -0.513
local terms energy: -45.652556
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -2.783
tors. eta vs tors. theta energy: 1.060
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: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -96.747069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.747069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.747069 (E_RNA)
where:
Base-Base interactions energy: -43.975
where: short stacking energy: -28.412
Base-Backbone interact. energy: -0.705
local terms energy: -52.066618
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -3.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -284.754021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.754021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.754021 (E_RNA)
where:
Base-Base interactions energy: -189.436
where: short stacking energy: -83.429
Base-Backbone interact. energy: -0.032
local terms energy: -95.285785
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -23.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -285.756226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.756226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.756226 (E_RNA)
where:
Base-Base interactions energy: -188.479
where: short stacking energy: -90.157
Base-Backbone interact. energy: -0.455
local terms energy: -96.821826
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -25.993
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: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -281.052427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.052427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.052427 (E_RNA)
where:
Base-Base interactions energy: -190.565
where: short stacking energy: -85.210
Base-Backbone interact. energy: -0.116
local terms energy: -90.371044
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -26.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -261.617199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.617199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.617199 (E_RNA)
where:
Base-Base interactions energy: -176.069
where: short stacking energy: -76.885
Base-Backbone interact. energy: -0.189
local terms energy: -85.359821
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -21.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -217.276197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.276197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.276197 (E_RNA)
where:
Base-Base interactions energy: -144.627
where: short stacking energy: -65.572
Base-Backbone interact. energy: -0.019
local terms energy: -72.630114
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -15.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -217.016855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.016855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.016855 (E_RNA)
where:
Base-Base interactions energy: -132.250
where: short stacking energy: -59.190
Base-Backbone interact. energy: -0.004
local terms energy: -84.763174
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -20.852
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -15.698
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: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -181.595484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.595484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.595484 (E_RNA)
where:
Base-Base interactions energy: -113.409
where: short stacking energy: -52.629
Base-Backbone interact. energy: -0.402
local terms energy: -67.783864
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -3.976
tors. eta vs tors. theta energy: -14.536
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: 2
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -105.400920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.400920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.400920 (E_RNA)
where:
Base-Base interactions energy: -38.618
where: short stacking energy: -33.274
Base-Backbone interact. energy: -0.332
local terms energy: -66.451647
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -101.452995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.452995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.452995 (E_RNA)
where:
Base-Base interactions energy: -47.219
where: short stacking energy: -36.589
Base-Backbone interact. energy: -0.392
local terms energy: -53.842052
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -5.150
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -7.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -89.108864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.108864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.108864 (E_RNA)
where:
Base-Base interactions energy: -34.240
where: short stacking energy: -31.508
Base-Backbone interact. energy: -0.293
local terms energy: -54.575795
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -0.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -302.223129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.223129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.223129 (E_RNA)
where:
Base-Base interactions energy: -203.153
where: short stacking energy: -84.632
Base-Backbone interact. energy: -0.109
local terms energy: -98.960594
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -15.381
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: 2, replica: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -294.089043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.089043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.089043 (E_RNA)
where:
Base-Base interactions energy: -197.288
where: short stacking energy: -85.679
Base-Backbone interact. energy: -0.746
local terms energy: -96.054515
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -15.554
tors. eta vs tors. theta energy: -27.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -284.121375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.121375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.121375 (E_RNA)
where:
Base-Base interactions energy: -187.181
where: short stacking energy: -82.498
Base-Backbone interact. energy: -0.030
local terms energy: -96.910707
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -24.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -223.604455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.604455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.604455 (E_RNA)
where:
Base-Base interactions energy: -139.533
where: short stacking energy: -62.551
Base-Backbone interact. energy: -0.112
local terms energy: -83.959291
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -21.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -250.026585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.026585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.026585 (E_RNA)
where:
Base-Base interactions energy: -180.134
where: short stacking energy: -64.260
Base-Backbone interact. energy: -0.201
local terms energy: -69.690786
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -14.547
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: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -177.732865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.732865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.732865 (E_RNA)
where:
Base-Base interactions energy: -112.262
where: short stacking energy: -56.178
Base-Backbone interact. energy: -0.191
local terms energy: -65.280287
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -14.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -220.222916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.222916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.222916 (E_RNA)
where:
Base-Base interactions energy: -139.658
where: short stacking energy: -62.118
Base-Backbone interact. energy: -0.705
local terms energy: -79.859428
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -21.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -119.717001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.717001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.717001 (E_RNA)
where:
Base-Base interactions energy: -59.350
where: short stacking energy: -34.109
Base-Backbone interact. energy: -0.448
local terms energy: -59.918968
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -9.575
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -7.243
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: 201
Temperature: 1.300000
Total energy: -100.889963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.889963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.889963 (E_RNA)
where:
Base-Base interactions energy: -39.713
where: short stacking energy: -39.713
Base-Backbone interact. energy: -0.846
local terms energy: -60.330653
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -13.962
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: 10, replica: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -91.789519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.789519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.789519 (E_RNA)
where:
Base-Base interactions energy: -37.475
where: short stacking energy: -15.891
Base-Backbone interact. energy: -0.334
local terms energy: -53.980945
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: 0.545
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: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -296.046885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.046885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.046885 (E_RNA)
where:
Base-Base interactions energy: -204.308
where: short stacking energy: -77.570
Base-Backbone interact. energy: 0.899
local terms energy: -92.638386
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -23.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -294.811084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.811084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.811084 (E_RNA)
where:
Base-Base interactions energy: -195.436
where: short stacking energy: -82.661
Base-Backbone interact. energy: -0.101
local terms energy: -99.274224
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -25.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -272.566066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.566066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.566066 (E_RNA)
where:
Base-Base interactions energy: -182.461
where: short stacking energy: -77.770
Base-Backbone interact. energy: -0.099
local terms energy: -90.005801
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -21.369
flat angles C4'-P-C4' energy: -21.367
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -22.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -237.269859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.269859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.269859 (E_RNA)
where:
Base-Base interactions energy: -156.533
where: short stacking energy: -55.484
Base-Backbone interact. energy: -0.098
local terms energy: -80.639188
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -246.893926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.893926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.893926 (E_RNA)
where:
Base-Base interactions energy: -165.179
where: short stacking energy: -63.452
Base-Backbone interact. energy: -0.261
local terms energy: -81.453716
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -21.616
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -11.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -180.007723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.007723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.007723 (E_RNA)
where:
Base-Base interactions energy: -109.315
where: short stacking energy: -48.981
Base-Backbone interact. energy: -0.309
local terms energy: -70.383979
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -187.894612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.894612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.894612 (E_RNA)
where:
Base-Base interactions energy: -122.375
where: short stacking energy: -56.739
Base-Backbone interact. energy: -0.384
local terms energy: -65.135224
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -14.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -102.417428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.417428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.417428 (E_RNA)
where:
Base-Base interactions energy: -37.816
where: short stacking energy: -33.181
Base-Backbone interact. energy: -0.028
local terms energy: -64.573045
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -5.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -96.979714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.979714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.979714 (E_RNA)
where:
Base-Base interactions energy: -33.125
where: short stacking energy: -27.545
Base-Backbone interact. energy: -1.128
local terms energy: -62.726710
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -1.743
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: 10, replica: 2
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -90.220025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.220025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.220025 (E_RNA)
where:
Base-Base interactions energy: -23.685
where: short stacking energy: -23.405
Base-Backbone interact. energy: -0.218
local terms energy: -66.316565
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -12.322
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: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -293.684618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.684618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.684618 (E_RNA)
where:
Base-Base interactions energy: -189.554
where: short stacking energy: -91.779
Base-Backbone interact. energy: -0.039
local terms energy: -104.091048
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -23.620
flat angles P-C4'-P energy: -17.301
tors. eta vs tors. theta energy: -31.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -287.767635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.767635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.767635 (E_RNA)
where:
Base-Base interactions energy: -195.275
where: short stacking energy: -80.804
Base-Backbone interact. energy: -0.014
local terms energy: -92.478624
where:
bonds (distance) C4'-P energy: -20.476
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -21.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -283.466375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.466375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.466375 (E_RNA)
where:
Base-Base interactions energy: -193.881
where: short stacking energy: -92.012
Base-Backbone interact. energy: -0.057
local terms energy: -89.528338
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -25.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -257.871600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.871600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.871600 (E_RNA)
where:
Base-Base interactions energy: -164.075
where: short stacking energy: -84.136
Base-Backbone interact. energy: -0.022
local terms energy: -93.775142
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -20.300
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -25.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -266.184320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.184320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.184320 (E_RNA)
where:
Base-Base interactions energy: -187.933
where: short stacking energy: -66.851
Base-Backbone interact. energy: -0.051
local terms energy: -78.200571
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -196.102304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.102304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.102304 (E_RNA)
where:
Base-Base interactions energy: -111.976
where: short stacking energy: -50.673
Base-Backbone interact. energy: -0.732
local terms energy: -83.393811
where:
bonds (distance) C4'-P energy: -18.510
bonds (distance) P-C4' energy: -17.680
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -15.946
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: 7, replica: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -174.136625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.136625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.136625 (E_RNA)
where:
Base-Base interactions energy: -112.222
where: short stacking energy: -42.700
Base-Backbone interact. energy: -0.471
local terms energy: -61.443457
where:
bonds (distance) C4'-P energy: -10.714
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -98.610422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.610422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.610422 (E_RNA)
where:
Base-Base interactions energy: -38.690
where: short stacking energy: -34.998
Base-Backbone interact. energy: 0.163
local terms energy: -60.083265
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -81.936645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.936645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.936645 (E_RNA)
where:
Base-Base interactions energy: -18.342
where: short stacking energy: -18.342
Base-Backbone interact. energy: -0.014
local terms energy: -63.579807
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: 1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -85.613590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.613590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.613590 (E_RNA)
where:
Base-Base interactions energy: -32.259
where: short stacking energy: -29.575
Base-Backbone interact. energy: -0.377
local terms energy: -52.977216
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -292.380482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.380482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.380482 (E_RNA)
where:
Base-Base interactions energy: -195.041
where: short stacking energy: -88.253
Base-Backbone interact. energy: -0.932
local terms energy: -96.406815
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -26.535
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: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -279.879655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.879655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.879655 (E_RNA)
where:
Base-Base interactions energy: -185.471
where: short stacking energy: -83.356
Base-Backbone interact. energy: -0.873
local terms energy: -93.535470
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -26.339
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: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -276.810670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.810670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.810670 (E_RNA)
where:
Base-Base interactions energy: -181.049
where: short stacking energy: -81.119
Base-Backbone interact. energy: -0.104
local terms energy: -95.657381
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -25.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -273.963342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.963342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.963342 (E_RNA)
where:
Base-Base interactions energy: -183.351
where: short stacking energy: -84.433
Base-Backbone interact. energy: -0.163
local terms energy: -90.449093
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -23.446
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: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -265.595414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.595414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.595414 (E_RNA)
where:
Base-Base interactions energy: -174.235
where: short stacking energy: -61.833
Base-Backbone interact. energy: -0.150
local terms energy: -91.210851
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -21.625
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: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -170.566408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.566408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.566408 (E_RNA)
where:
Base-Base interactions energy: -91.173
where: short stacking energy: -47.263
Base-Backbone interact. energy: -0.111
local terms energy: -79.282841
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -11.210
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: 7, replica: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -182.014656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.014656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.014656 (E_RNA)
where:
Base-Base interactions energy: -119.583
where: short stacking energy: -46.333
Base-Backbone interact. energy: 1.827
local terms energy: -64.258773
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -10.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -113.684834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.684834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.684834 (E_RNA)
where:
Base-Base interactions energy: -52.586
where: short stacking energy: -32.804
Base-Backbone interact. energy: -0.302
local terms energy: -60.796622
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -5.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -92.064475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.064475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.064475 (E_RNA)
where:
Base-Base interactions energy: -36.956
where: short stacking energy: -28.481
Base-Backbone interact. energy: -0.018
local terms energy: -55.089865
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -5.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -84.042954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.042954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.042954 (E_RNA)
where:
Base-Base interactions energy: -32.088
where: short stacking energy: -19.945
Base-Backbone interact. energy: 0.703
local terms energy: -52.658118
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: 2.682
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: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -283.574727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.574727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.574727 (E_RNA)
where:
Base-Base interactions energy: -195.857
where: short stacking energy: -89.082
Base-Backbone interact. energy: -0.022
local terms energy: -87.694893
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -19.257
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -23.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -282.558643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.558643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.558643 (E_RNA)
where:
Base-Base interactions energy: -195.643
where: short stacking energy: -82.742
Base-Backbone interact. energy: -0.082
local terms energy: -86.833759
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -285.372573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.372573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.372573 (E_RNA)
where:
Base-Base interactions energy: -182.789
where: short stacking energy: -85.149
Base-Backbone interact. energy: -0.075
local terms energy: -102.508049
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -27.165
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: 10
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -269.767469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.767469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.767469 (E_RNA)
where:
Base-Base interactions energy: -183.351
where: short stacking energy: -82.754
Base-Backbone interact. energy: -1.806
local terms energy: -84.610488
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -10.304
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -28.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -256.449557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.449557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.449557 (E_RNA)
where:
Base-Base interactions energy: -172.304
where: short stacking energy: -62.071
Base-Backbone interact. energy: -0.104
local terms energy: -84.042107
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -16.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -185.067516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.067516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.067516 (E_RNA)
where:
Base-Base interactions energy: -115.901
where: short stacking energy: -52.213
Base-Backbone interact. energy: -0.091
local terms energy: -69.074822
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -11.157
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: 9
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -178.866916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.866916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.866916 (E_RNA)
where:
Base-Base interactions energy: -109.423
where: short stacking energy: -55.126
Base-Backbone interact. energy: 1.064
local terms energy: -70.508168
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -11.009
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: 2
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -122.213970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.213970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.213970 (E_RNA)
where:
Base-Base interactions energy: -57.059
where: short stacking energy: -28.481
Base-Backbone interact. energy: 0.144
local terms energy: -65.298895
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -8.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -92.213811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.213811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.213811 (E_RNA)
where:
Base-Base interactions energy: -35.230
where: short stacking energy: -28.724
Base-Backbone interact. energy: -0.733
local terms energy: -56.251158
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: 0.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -118.578664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.578664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.578664 (E_RNA)
where:
Base-Base interactions energy: -58.469
where: short stacking energy: -35.423
Base-Backbone interact. energy: -0.158
local terms energy: -59.951520
where:
bonds (distance) C4'-P energy: -8.942
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -3.303
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: 206
Temperature: 0.900000
Total energy: -287.420895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.420895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.420895 (E_RNA)
where:
Base-Base interactions energy: -191.376
where: short stacking energy: -86.995
Base-Backbone interact. energy: -0.000
local terms energy: -96.044095
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -21.279
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -24.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -295.397821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.397821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.397821 (E_RNA)
where:
Base-Base interactions energy: -205.756
where: short stacking energy: -87.873
Base-Backbone interact. energy: -0.060
local terms energy: -89.581042
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -25.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -287.392364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.392364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.392364 (E_RNA)
where:
Base-Base interactions energy: -187.300
where: short stacking energy: -83.059
Base-Backbone interact. energy: -0.084
local terms energy: -100.008020
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -27.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -280.827749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.827749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.827749 (E_RNA)
where:
Base-Base interactions energy: -190.382
where: short stacking energy: -84.515
Base-Backbone interact. energy: 1.776
local terms energy: -92.220946
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -20.538
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -219.097610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.097610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.097610 (E_RNA)
where:
Base-Base interactions energy: -136.354
where: short stacking energy: -61.115
Base-Backbone interact. energy: 0.148
local terms energy: -82.891275
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -15.021
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: 206
Temperature: 1.150000
Total energy: -246.181116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.181116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.181116 (E_RNA)
where:
Base-Base interactions energy: -167.706
where: short stacking energy: -66.297
Base-Backbone interact. energy: -0.065
local terms energy: -78.410370
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -19.796
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: 9
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -179.815714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.815714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.815714 (E_RNA)
where:
Base-Base interactions energy: -113.862
where: short stacking energy: -49.514
Base-Backbone interact. energy: -0.158
local terms energy: -65.795321
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -7.270
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: 8, replica: 2
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -98.467875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.467875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.467875 (E_RNA)
where:
Base-Base interactions energy: -39.263
where: short stacking energy: -37.630
Base-Backbone interact. energy: -0.485
local terms energy: -58.720174
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -100.400527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.400527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.400527 (E_RNA)
where:
Base-Base interactions energy: -40.362
where: short stacking energy: -28.757
Base-Backbone interact. energy: -0.122
local terms energy: -59.916853
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -5.193
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: 10, replica: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -84.297753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.297753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.297753 (E_RNA)
where:
Base-Base interactions energy: -30.551
where: short stacking energy: -28.758
Base-Backbone interact. energy: -0.053
local terms energy: -53.694278
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: 0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -286.371879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.371879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.371879 (E_RNA)
where:
Base-Base interactions energy: -188.672
where: short stacking energy: -81.090
Base-Backbone interact. energy: -0.247
local terms energy: -97.452639
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -22.767
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: 10
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -292.360788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.360788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.360788 (E_RNA)
where:
Base-Base interactions energy: -199.445
where: short stacking energy: -81.170
Base-Backbone interact. energy: -0.037
local terms energy: -92.878201
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -21.727
flat angles C4'-P-C4' energy: -20.554
flat angles P-C4'-P energy: -14.821
tors. eta vs tors. theta energy: -22.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -294.167824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.167824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.167824 (E_RNA)
where:
Base-Base interactions energy: -197.069
where: short stacking energy: -83.994
Base-Backbone interact. energy: -0.057
local terms energy: -97.042249
where:
bonds (distance) C4'-P energy: -18.473
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -16.345
tors. eta vs tors. theta energy: -27.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -282.504404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.504404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.504404 (E_RNA)
where:
Base-Base interactions energy: -189.106
where: short stacking energy: -89.446
Base-Backbone interact. energy: -0.031
local terms energy: -93.367460
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -28.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -228.779029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.779029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.779029 (E_RNA)
where:
Base-Base interactions energy: -143.711
where: short stacking energy: -57.805
Base-Backbone interact. energy: -0.072
local terms energy: -84.996064
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -16.382
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: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -253.070742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.070742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.070742 (E_RNA)
where:
Base-Base interactions energy: -172.685
where: short stacking energy: -57.785
Base-Backbone interact. energy: -0.403
local terms energy: -79.982849
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -15.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -168.002051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.002051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.002051 (E_RNA)
where:
Base-Base interactions energy: -102.476
where: short stacking energy: -43.941
Base-Backbone interact. energy: -0.073
local terms energy: -65.452944
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -9.085
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: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -100.468353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.468353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.468353 (E_RNA)
where:
Base-Base interactions energy: -38.312
where: short stacking energy: -38.298
Base-Backbone interact. energy: -0.173
local terms energy: -61.983012
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -11.137
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: 9, replica: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -86.549406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.549406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.549406 (E_RNA)
where:
Base-Base interactions energy: -32.470
where: short stacking energy: -24.070
Base-Backbone interact. energy: -0.319
local terms energy: -53.759824
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: 1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -87.208465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.208465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.208465 (E_RNA)
where:
Base-Base interactions energy: -28.522
where: short stacking energy: -16.135
Base-Backbone interact. energy: -0.209
local terms energy: -58.477468
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: 3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -297.933033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.933033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.933033 (E_RNA)
where:
Base-Base interactions energy: -205.425
where: short stacking energy: -80.686
Base-Backbone interact. energy: -0.042
local terms energy: -92.465751
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -25.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -287.129494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.129494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.129494 (E_RNA)
where:
Base-Base interactions energy: -195.955
where: short stacking energy: -89.349
Base-Backbone interact. energy: -0.613
local terms energy: -90.561408
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -15.388
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: 3, replica: 5
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -282.414473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.414473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.414473 (E_RNA)
where:
Base-Base interactions energy: -190.891
where: short stacking energy: -82.680
Base-Backbone interact. energy: -0.009
local terms energy: -91.515367
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -26.384
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: 7
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -276.675825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.675825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.675825 (E_RNA)
where:
Base-Base interactions energy: -188.561
where: short stacking energy: -79.883
Base-Backbone interact. energy: -0.741
local terms energy: -87.373512
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -25.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -254.356464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.356464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.356464 (E_RNA)
where:
Base-Base interactions energy: -176.236
where: short stacking energy: -62.060
Base-Backbone interact. energy: 2.916
local terms energy: -81.036519
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -200.489550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.489550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.489550 (E_RNA)
where:
Base-Base interactions energy: -134.642
where: short stacking energy: -59.670
Base-Backbone interact. energy: -0.794
local terms energy: -65.052717
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -12.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -115.092592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.092592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.092592 (E_RNA)
where:
Base-Base interactions energy: -66.033
where: short stacking energy: -38.730
Base-Backbone interact. energy: -0.158
local terms energy: -48.901013
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -5.708
tors. eta vs tors. theta energy: -2.075
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: 9
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -166.962090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.962090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.962090 (E_RNA)
where:
Base-Base interactions energy: -99.255
where: short stacking energy: -46.153
Base-Backbone interact. energy: -0.187
local terms energy: -67.519981
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -8.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -90.169831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.169831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.169831 (E_RNA)
where:
Base-Base interactions energy: -31.791
where: short stacking energy: -21.121
Base-Backbone interact. energy: 0.404
local terms energy: -58.783408
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -18.078
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -83.114886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.114886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.114886 (E_RNA)
where:
Base-Base interactions energy: -26.894
where: short stacking energy: -21.522
Base-Backbone interact. energy: -0.490
local terms energy: -55.730513
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: 1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -301.511718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.511718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.511718 (E_RNA)
where:
Base-Base interactions energy: -203.491
where: short stacking energy: -82.053
Base-Backbone interact. energy: -0.135
local terms energy: -97.885322
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -25.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -287.307397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.307397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.307397 (E_RNA)
where:
Base-Base interactions energy: -193.568
where: short stacking energy: -89.637
Base-Backbone interact. energy: -0.087
local terms energy: -93.652456
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -19.075
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -23.613
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: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -286.175731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.175731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.175731 (E_RNA)
where:
Base-Base interactions energy: -189.637
where: short stacking energy: -85.020
Base-Backbone interact. energy: -0.385
local terms energy: -96.153553
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -26.258
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: 7
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -262.015715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.015715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.015715 (E_RNA)
where:
Base-Base interactions energy: -180.647
where: short stacking energy: -72.526
Base-Backbone interact. energy: -0.522
local terms energy: -80.846055
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -19.538
flat angles P-C4'-P energy: -13.750
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: 5, replica: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -226.283922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.283922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.283922 (E_RNA)
where:
Base-Base interactions energy: -146.923
where: short stacking energy: -68.591
Base-Backbone interact. energy: -0.117
local terms energy: -79.242997
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -22.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -222.152370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.152370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.152370 (E_RNA)
where:
Base-Base interactions energy: -149.800
where: short stacking energy: -58.137
Base-Backbone interact. energy: -0.005
local terms energy: -72.346800
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -16.184
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: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -120.142199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.142199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.142199 (E_RNA)
where:
Base-Base interactions energy: -67.054
where: short stacking energy: -34.001
Base-Backbone interact. energy: -0.736
local terms energy: -52.352219
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -7.117
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -4.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -144.386814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.386814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.386814 (E_RNA)
where:
Base-Base interactions energy: -84.536
where: short stacking energy: -36.002
Base-Backbone interact. energy: -0.229
local terms energy: -59.621318
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -92.649822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.649822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.649822 (E_RNA)
where:
Base-Base interactions energy: -29.215
where: short stacking energy: -22.252
Base-Backbone interact. energy: 0.366
local terms energy: -63.800147
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -11.573
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: 10, replica: 1
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -85.254968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.254968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.254968 (E_RNA)
where:
Base-Base interactions energy: -39.162
where: short stacking energy: -23.782
Base-Backbone interact. energy: -0.254
local terms energy: -45.839700
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -299.171849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.171849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.171849 (E_RNA)
where:
Base-Base interactions energy: -203.078
where: short stacking energy: -91.908
Base-Backbone interact. energy: -0.087
local terms energy: -96.006930
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -13.783
tors. eta vs tors. theta energy: -26.201
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: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -275.521859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.521859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.521859 (E_RNA)
where:
Base-Base interactions energy: -180.613
where: short stacking energy: -78.598
Base-Backbone interact. energy: -0.144
local terms energy: -94.765618
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -26.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -275.096296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.096296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.096296 (E_RNA)
where:
Base-Base interactions energy: -186.523
where: short stacking energy: -71.910
Base-Backbone interact. energy: -0.921
local terms energy: -87.652615
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -22.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -277.475247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.475247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.475247 (E_RNA)
where:
Base-Base interactions energy: -181.494
where: short stacking energy: -83.542
Base-Backbone interact. energy: -0.591
local terms energy: -95.390569
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -26.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -213.065463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.065463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.065463 (E_RNA)
where:
Base-Base interactions energy: -142.407
where: short stacking energy: -62.901
Base-Backbone interact. energy: 0.012
local terms energy: -70.670797
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -18.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -224.970374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.970374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.970374 (E_RNA)
where:
Base-Base interactions energy: -153.697
where: short stacking energy: -76.142
Base-Backbone interact. energy: -0.040
local terms energy: -71.233565
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -23.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -106.316070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.316070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.316070 (E_RNA)
where:
Base-Base interactions energy: -33.104
where: short stacking energy: -33.104
Base-Backbone interact. energy: -0.423
local terms energy: -72.788869
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: -7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -96.404893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.404893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.404893 (E_RNA)
where:
Base-Base interactions energy: -44.672
where: short stacking energy: -35.184
Base-Backbone interact. energy: -0.169
local terms energy: -51.563726
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -13.124
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: 9, replica: 1
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -93.610210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.610210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.610210 (E_RNA)
where:
Base-Base interactions energy: -33.145
where: short stacking energy: -31.078
Base-Backbone interact. energy: 0.610
local terms energy: -61.074760
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -3.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -93.182826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.182826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.182826 (E_RNA)
where:
Base-Base interactions energy: -24.480
where: short stacking energy: -21.984
Base-Backbone interact. energy: -0.268
local terms energy: -68.434501
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -5.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -294.675967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.675967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.675967 (E_RNA)
where:
Base-Base interactions energy: -198.262
where: short stacking energy: -84.144
Base-Backbone interact. energy: -0.291
local terms energy: -96.122714
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -23.511
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: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -293.423005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.423005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.423005 (E_RNA)
where:
Base-Base interactions energy: -202.506
where: short stacking energy: -86.716
Base-Backbone interact. energy: -0.712
local terms energy: -90.204651
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -24.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -282.471751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.471751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.471751 (E_RNA)
where:
Base-Base interactions energy: -179.129
where: short stacking energy: -81.299
Base-Backbone interact. energy: -0.411
local terms energy: -102.931736
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -21.558
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -25.000
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: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -269.235738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.235738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.235738 (E_RNA)
where:
Base-Base interactions energy: -182.535
where: short stacking energy: -82.556
Base-Backbone interact. energy: -0.161
local terms energy: -86.540180
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -22.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -221.241919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.241919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.241919 (E_RNA)
where:
Base-Base interactions energy: -150.968
where: short stacking energy: -67.913
Base-Backbone interact. energy: -0.306
local terms energy: -69.967843
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -8.970
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -209.561997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.561997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.561997 (E_RNA)
where:
Base-Base interactions energy: -123.148
where: short stacking energy: -54.739
Base-Backbone interact. energy: -0.101
local terms energy: -86.312961
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -15.064
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -106.142731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.142731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.142731 (E_RNA)
where:
Base-Base interactions energy: -46.662
where: short stacking energy: -34.406
Base-Backbone interact. energy: 0.329
local terms energy: -59.809563
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -3.630
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: 8, replica: 1
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -104.363033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.363033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.363033 (E_RNA)
where:
Base-Base interactions energy: -48.787
where: short stacking energy: -21.574
Base-Backbone interact. energy: -1.145
local terms energy: -54.431006
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -7.906
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: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -87.127988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.127988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.127988 (E_RNA)
where:
Base-Base interactions energy: -37.787
where: short stacking energy: -22.695
Base-Backbone interact. energy: -0.170
local terms energy: -49.170614
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -17.645
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -3.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -88.132745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.132745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.132745 (E_RNA)
where:
Base-Base interactions energy: -40.072
where: short stacking energy: -36.861
Base-Backbone interact. energy: -0.544
local terms energy: -47.515860
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -3.413
tors. eta vs tors. theta energy: -2.940
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: 10
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -299.325411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.325411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.325411 (E_RNA)
where:
Base-Base interactions energy: -198.283
where: short stacking energy: -89.133
Base-Backbone interact. energy: -0.035
local terms energy: -101.007968
where:
bonds (distance) C4'-P energy: -20.992
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -26.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -305.304124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.304124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.304124 (E_RNA)
where:
Base-Base interactions energy: -209.746
where: short stacking energy: -83.881
Base-Backbone interact. energy: -0.084
local terms energy: -95.474757
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -24.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -286.221157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.221157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.221157 (E_RNA)
where:
Base-Base interactions energy: -182.244
where: short stacking energy: -86.449
Base-Backbone interact. energy: -0.009
local terms energy: -103.968650
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -21.688
flat angles P-C4'-P energy: -16.661
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: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -270.352272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.352272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.352272 (E_RNA)
where:
Base-Base interactions energy: -187.537
where: short stacking energy: -74.917
Base-Backbone interact. energy: -0.470
local terms energy: -82.344858
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -22.536
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: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -211.149195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.149195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.149195 (E_RNA)
where:
Base-Base interactions energy: -134.953
where: short stacking energy: -58.072
Base-Backbone interact. energy: -0.234
local terms energy: -75.962152
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: -14.852
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: 4
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -216.437447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.437447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.437447 (E_RNA)
where:
Base-Base interactions energy: -142.457
where: short stacking energy: -64.421
Base-Backbone interact. energy: -0.039
local terms energy: -73.941844
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -17.743
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: 7, replica: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -143.390566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.390566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.390566 (E_RNA)
where:
Base-Base interactions energy: -90.924
where: short stacking energy: -44.377
Base-Backbone interact. energy: -0.264
local terms energy: -52.202238
where:
bonds (distance) C4'-P energy: -8.659
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -5.744
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: 8, replica: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -118.896837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.896837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.896837 (E_RNA)
where:
Base-Base interactions energy: -57.702
where: short stacking energy: -26.479
Base-Backbone interact. energy: -0.494
local terms energy: -60.700997
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -0.663
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: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -100.211819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.211819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.211819 (E_RNA)
where:
Base-Base interactions energy: -36.128
where: short stacking energy: -36.128
Base-Backbone interact. energy: -0.009
local terms energy: -64.075090
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -6.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -92.735929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.735929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.735929 (E_RNA)
where:
Base-Base interactions energy: -35.183
where: short stacking energy: -30.552
Base-Backbone interact. energy: -0.624
local terms energy: -56.929149
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -294.277005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.277005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.277005 (E_RNA)
where:
Base-Base interactions energy: -193.334
where: short stacking energy: -86.834
Base-Backbone interact. energy: -0.362
local terms energy: -100.580473
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -22.167
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -25.499
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: 5
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -287.729915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.729915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.729915 (E_RNA)
where:
Base-Base interactions energy: -195.251
where: short stacking energy: -84.198
Base-Backbone interact. energy: -0.031
local terms energy: -92.447270
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -19.734
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -23.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -275.613233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.613233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.613233 (E_RNA)
where:
Base-Base interactions energy: -178.649
where: short stacking energy: -76.764
Base-Backbone interact. energy: -0.053
local terms energy: -96.911434
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -12.289
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: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -269.068350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.068350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.068350 (E_RNA)
where:
Base-Base interactions energy: -179.654
where: short stacking energy: -69.470
Base-Backbone interact. energy: -0.005
local terms energy: -89.408802
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -206.264173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.264173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.264173 (E_RNA)
where:
Base-Base interactions energy: -124.238
where: short stacking energy: -63.827
Base-Backbone interact. energy: -0.129
local terms energy: -81.897330
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -219.567602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.567602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.567602 (E_RNA)
where:
Base-Base interactions energy: -136.939
where: short stacking energy: -66.088
Base-Backbone interact. energy: -0.176
local terms energy: -82.452749
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -17.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -130.477268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.477268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.477268 (E_RNA)
where:
Base-Base interactions energy: -74.905
where: short stacking energy: -35.926
Base-Backbone interact. energy: -0.041
local terms energy: -55.530998
where:
bonds (distance) C4'-P energy: -6.422
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -11.740
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: 2
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -101.027652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.027652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.027652 (E_RNA)
where:
Base-Base interactions energy: -36.934
where: short stacking energy: -24.393
Base-Backbone interact. energy: -1.109
local terms energy: -62.983852
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -6.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -95.597283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.597283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.597283 (E_RNA)
where:
Base-Base interactions energy: -41.084
where: short stacking energy: -36.461
Base-Backbone interact. energy: 0.443
local terms energy: -54.957002
where:
bonds (distance) C4'-P energy: -8.250
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -3.955
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: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -81.607245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.607245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.607245 (E_RNA)
where:
Base-Base interactions energy: -32.357
where: short stacking energy: -31.267
Base-Backbone interact. energy: -1.251
local terms energy: -47.999168
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -8.357
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -287.106675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.106675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.106675 (E_RNA)
where:
Base-Base interactions energy: -191.075
where: short stacking energy: -86.339
Base-Backbone interact. energy: -0.359
local terms energy: -95.672588
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -13.866
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: 2, replica: 10
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -299.898885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.898885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.898885 (E_RNA)
where:
Base-Base interactions energy: -200.698
where: short stacking energy: -79.607
Base-Backbone interact. energy: -0.275
local terms energy: -98.926190
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -28.169
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: 3, replica: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -283.061029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.061029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.061029 (E_RNA)
where:
Base-Base interactions energy: -191.185
where: short stacking energy: -80.583
Base-Backbone interact. energy: -0.332
local terms energy: -91.543819
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -12.740
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: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -276.201141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.201141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.201141 (E_RNA)
where:
Base-Base interactions energy: -180.102
where: short stacking energy: -86.774
Base-Backbone interact. energy: -0.301
local terms energy: -95.798404
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -27.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -224.816200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.816200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.816200 (E_RNA)
where:
Base-Base interactions energy: -142.541
where: short stacking energy: -68.074
Base-Backbone interact. energy: -0.012
local terms energy: -82.263278
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -16.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -225.367281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.367281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.367281 (E_RNA)
where:
Base-Base interactions energy: -146.404
where: short stacking energy: -69.319
Base-Backbone interact. energy: -0.097
local terms energy: -78.866632
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -102.665193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.665193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.665193 (E_RNA)
where:
Base-Base interactions energy: -39.185
where: short stacking energy: -28.015
Base-Backbone interact. energy: -0.246
local terms energy: -63.234133
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: 4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -91.481934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.481934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.481934 (E_RNA)
where:
Base-Base interactions energy: -34.797
where: short stacking energy: -34.797
Base-Backbone interact. energy: -0.340
local terms energy: -56.344792
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -100.800272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.800272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.800272 (E_RNA)
where:
Base-Base interactions energy: -36.597
where: short stacking energy: -34.822
Base-Backbone interact. energy: -0.089
local terms energy: -64.113821
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -9.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -80.279011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.279011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.279011 (E_RNA)
where:
Base-Base interactions energy: -16.207
where: short stacking energy: -16.207
Base-Backbone interact. energy: -0.022
local terms energy: -64.050187
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -296.351405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.351405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.351405 (E_RNA)
where:
Base-Base interactions energy: -205.005
where: short stacking energy: -85.917
Base-Backbone interact. energy: -0.097
local terms energy: -91.248891
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -24.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -291.007704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.007704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.007704 (E_RNA)
where:
Base-Base interactions energy: -198.619
where: short stacking energy: -83.648
Base-Backbone interact. energy: 1.048
local terms energy: -93.436368
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -13.544
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: 3, replica: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -273.132488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.132488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.132488 (E_RNA)
where:
Base-Base interactions energy: -178.379
where: short stacking energy: -79.245
Base-Backbone interact. energy: -0.854
local terms energy: -93.899385
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -13.112
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: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -275.909779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.909779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.909779 (E_RNA)
where:
Base-Base interactions energy: -174.926
where: short stacking energy: -79.538
Base-Backbone interact. energy: -0.160
local terms energy: -100.823633
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -15.804
tors. eta vs tors. theta energy: -29.033
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: 215
Temperature: 1.100000
Total energy: -236.117437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.117437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.117437 (E_RNA)
where:
Base-Base interactions energy: -166.936
where: short stacking energy: -59.734
Base-Backbone interact. energy: -0.953
local terms energy: -68.228734
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -13.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -218.249606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.249606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.249606 (E_RNA)
where:
Base-Base interactions energy: -136.835
where: short stacking energy: -61.744
Base-Backbone interact. energy: -0.853
local terms energy: -80.561944
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -10.266
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: 7, replica: 2
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -112.531419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.531419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.531419 (E_RNA)
where:
Base-Base interactions energy: -52.390
where: short stacking energy: -38.401
Base-Backbone interact. energy: 0.654
local terms energy: -60.794777
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -7.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -109.698914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.698914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.698914 (E_RNA)
where:
Base-Base interactions energy: -37.239
where: short stacking energy: -37.239
Base-Backbone interact. energy: -0.042
local terms energy: -72.417824
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -88.436314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.436314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.436314 (E_RNA)
where:
Base-Base interactions energy: -30.697
where: short stacking energy: -26.360
Base-Backbone interact. energy: 0.134
local terms energy: -57.873638
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -21.194
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: 1.958
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: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -100.386106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.386106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.386106 (E_RNA)
where:
Base-Base interactions energy: -35.043
where: short stacking energy: -30.081
Base-Backbone interact. energy: -0.059
local terms energy: -65.284997
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -10.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -304.478700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.478700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.478700 (E_RNA)
where:
Base-Base interactions energy: -206.251
where: short stacking energy: -89.703
Base-Backbone interact. energy: 0.014
local terms energy: -98.242113
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -28.573
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: 5
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -290.813941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.813941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.813941 (E_RNA)
where:
Base-Base interactions energy: -201.986
where: short stacking energy: -85.150
Base-Backbone interact. energy: -0.063
local terms energy: -88.765363
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -13.725
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: 3, replica: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -284.944750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.944750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.944750 (E_RNA)
where:
Base-Base interactions energy: -189.914
where: short stacking energy: -86.950
Base-Backbone interact. energy: 0.496
local terms energy: -95.527119
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -24.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -278.695796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.695796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.695796 (E_RNA)
where:
Base-Base interactions energy: -184.554
where: short stacking energy: -84.721
Base-Backbone interact. energy: -0.034
local terms energy: -94.107944
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -29.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -253.085694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.085694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.085694 (E_RNA)
where:
Base-Base interactions energy: -169.111
where: short stacking energy: -64.803
Base-Backbone interact. energy: -0.129
local terms energy: -83.845767
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -22.067
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -19.421
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: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -213.504661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.504661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.504661 (E_RNA)
where:
Base-Base interactions energy: -137.510
where: short stacking energy: -57.535
Base-Backbone interact. energy: -0.275
local terms energy: -75.720035
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -14.460
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: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -116.931709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.931709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.931709 (E_RNA)
where:
Base-Base interactions energy: -40.985
where: short stacking energy: -40.985
Base-Backbone interact. energy: -0.170
local terms energy: -75.777038
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -9.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -95.768624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.768624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.768624 (E_RNA)
where:
Base-Base interactions energy: -37.688
where: short stacking energy: -35.623
Base-Backbone interact. energy: -0.276
local terms energy: -57.804282
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -115.202197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.202197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.202197 (E_RNA)
where:
Base-Base interactions energy: -51.272
where: short stacking energy: -46.140
Base-Backbone interact. energy: 0.769
local terms energy: -64.699164
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -10.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -85.848561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.848561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.848561 (E_RNA)
where:
Base-Base interactions energy: -23.282
where: short stacking energy: -23.282
Base-Backbone interact. energy: -0.184
local terms energy: -62.382234
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -296.984119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.984119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.984119 (E_RNA)
where:
Base-Base interactions energy: -201.046
where: short stacking energy: -84.415
Base-Backbone interact. energy: -0.184
local terms energy: -95.754514
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -23.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -298.577680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.577680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.577680 (E_RNA)
where:
Base-Base interactions energy: -207.820
where: short stacking energy: -82.045
Base-Backbone interact. energy: -0.258
local terms energy: -90.500128
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -22.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -293.507076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.507076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.507076 (E_RNA)
where:
Base-Base interactions energy: -199.775
where: short stacking energy: -79.318
Base-Backbone interact. energy: -0.132
local terms energy: -93.599775
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -20.087
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -24.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -244.787572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.787572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.787572 (E_RNA)
where:
Base-Base interactions energy: -159.897
where: short stacking energy: -67.191
Base-Backbone interact. energy: -0.303
local terms energy: -84.588158
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -18.799
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: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -273.729455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.729455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.729455 (E_RNA)
where:
Base-Base interactions energy: -180.632
where: short stacking energy: -74.288
Base-Backbone interact. energy: -0.145
local terms energy: -92.953047
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -21.543
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: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -210.877086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.877086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.877086 (E_RNA)
where:
Base-Base interactions energy: -136.290
where: short stacking energy: -61.130
Base-Backbone interact. energy: -0.003
local terms energy: -74.584843
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -20.588
flat angles P-C4'-P energy: -4.792
tors. eta vs tors. theta energy: -11.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -114.512370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.512370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.512370 (E_RNA)
where:
Base-Base interactions energy: -50.013
where: short stacking energy: -36.629
Base-Backbone interact. energy: -0.472
local terms energy: -64.027297
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -106.027842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.027842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.027842 (E_RNA)
where:
Base-Base interactions energy: -35.083
where: short stacking energy: -32.441
Base-Backbone interact. energy: -0.105
local terms energy: -70.839930
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -8.008
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: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -104.162759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.162759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.162759 (E_RNA)
where:
Base-Base interactions energy: -42.562
where: short stacking energy: -28.799
Base-Backbone interact. energy: -0.061
local terms energy: -61.539691
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -8.562
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: 10, replica: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -87.016398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.016398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.016398 (E_RNA)
where:
Base-Base interactions energy: -36.241
where: short stacking energy: -26.130
Base-Backbone interact. energy: -0.744
local terms energy: -50.030984
where:
bonds (distance) C4'-P energy: -8.884
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: 1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -292.119698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.119698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.119698 (E_RNA)
where:
Base-Base interactions energy: -194.134
where: short stacking energy: -86.849
Base-Backbone interact. energy: -0.066
local terms energy: -97.919535
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -14.384
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: 2, replica: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -283.063254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.063254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.063254 (E_RNA)
where:
Base-Base interactions energy: -195.187
where: short stacking energy: -84.702
Base-Backbone interact. energy: -0.007
local terms energy: -87.869477
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -9.432
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: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -271.622587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.622587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.622587 (E_RNA)
where:
Base-Base interactions energy: -184.594
where: short stacking energy: -70.646
Base-Backbone interact. energy: -0.588
local terms energy: -86.440414
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -25.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -268.335432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.335432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.335432 (E_RNA)
where:
Base-Base interactions energy: -181.297
where: short stacking energy: -80.350
Base-Backbone interact. energy: -0.011
local terms energy: -87.027240
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -23.989
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: 5, replica: 8
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -220.285426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.285426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.285426 (E_RNA)
where:
Base-Base interactions energy: -140.788
where: short stacking energy: -61.172
Base-Backbone interact. energy: -0.178
local terms energy: -79.319963
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -19.073
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: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -273.501226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.501226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.501226 (E_RNA)
where:
Base-Base interactions energy: -179.976
where: short stacking energy: -80.376
Base-Backbone interact. energy: -0.866
local terms energy: -92.659072
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -27.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -118.292416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.292416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.292416 (E_RNA)
where:
Base-Base interactions energy: -51.592
where: short stacking energy: -51.592
Base-Backbone interact. energy: -0.023
local terms energy: -66.677324
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -10.977
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: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -107.115164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.115164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.115164 (E_RNA)
where:
Base-Base interactions energy: -43.867
where: short stacking energy: -43.867
Base-Backbone interact. energy: -0.002
local terms energy: -63.246099
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -6.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -108.222282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.222282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.222282 (E_RNA)
where:
Base-Base interactions energy: -51.752
where: short stacking energy: -27.815
Base-Backbone interact. energy: -0.544
local terms energy: -55.926504
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -94.880200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.880200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.880200 (E_RNA)
where:
Base-Base interactions energy: -30.362
where: short stacking energy: -22.745
Base-Backbone interact. energy: -0.207
local terms energy: -64.310989
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -296.098398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.098398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.098398 (E_RNA)
where:
Base-Base interactions energy: -203.340
where: short stacking energy: -90.547
Base-Backbone interact. energy: -0.086
local terms energy: -92.672828
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -25.360
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: 2, replica: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -272.390256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.390256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.390256 (E_RNA)
where:
Base-Base interactions energy: -188.241
where: short stacking energy: -73.233
Base-Backbone interact. energy: -0.005
local terms energy: -84.144520
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -9.297
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: 3, replica: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -290.081111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.081111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.081111 (E_RNA)
where:
Base-Base interactions energy: -193.829
where: short stacking energy: -90.047
Base-Backbone interact. energy: -0.907
local terms energy: -95.344608
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -23.436
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: 4, replica: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -271.970936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.970936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.970936 (E_RNA)
where:
Base-Base interactions energy: -178.697
where: short stacking energy: -75.829
Base-Backbone interact. energy: -0.481
local terms energy: -92.792768
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -21.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -229.713190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.713190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.713190 (E_RNA)
where:
Base-Base interactions energy: -153.523
where: short stacking energy: -68.635
Base-Backbone interact. energy: -0.157
local terms energy: -76.032963
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -17.909
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: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -260.700995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.700995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.700995 (E_RNA)
where:
Base-Base interactions energy: -177.225
where: short stacking energy: -79.017
Base-Backbone interact. energy: -0.022
local terms energy: -83.454666
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -23.409
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: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -103.645923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.645923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.645923 (E_RNA)
where:
Base-Base interactions energy: -48.522
where: short stacking energy: -37.339
Base-Backbone interact. energy: -0.584
local terms energy: -54.539374
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -99.923040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.923040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.923040 (E_RNA)
where:
Base-Base interactions energy: -40.989
where: short stacking energy: -20.568
Base-Backbone interact. energy: -0.511
local terms energy: -58.422744
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: 6.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -93.191188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.191188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.191188 (E_RNA)
where:
Base-Base interactions energy: -35.563
where: short stacking energy: -35.563
Base-Backbone interact. energy: -1.239
local terms energy: -56.389347
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -7.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -101.204874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.204874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.204874 (E_RNA)
where:
Base-Base interactions energy: -51.687
where: short stacking energy: -41.785
Base-Backbone interact. energy: -0.540
local terms energy: -48.978281
where:
bonds (distance) C4'-P energy: -8.055
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -8.284
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -8.273
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: 1, replica: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -284.236003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.236003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.236003 (E_RNA)
where:
Base-Base interactions energy: -184.063
where: short stacking energy: -84.668
Base-Backbone interact. energy: -0.400
local terms energy: -99.772609
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -27.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -270.123265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.123265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.123265 (E_RNA)
where:
Base-Base interactions energy: -180.616
where: short stacking energy: -67.965
Base-Backbone interact. energy: -0.075
local terms energy: -89.432365
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -19.990
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: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -290.985446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.985446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.985446 (E_RNA)
where:
Base-Base interactions energy: -191.177
where: short stacking energy: -84.871
Base-Backbone interact. energy: -0.045
local terms energy: -99.763770
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: -28.503
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: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -278.076693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.076693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.076693 (E_RNA)
where:
Base-Base interactions energy: -188.602
where: short stacking energy: -78.729
Base-Backbone interact. energy: -0.167
local terms energy: -89.307067
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -22.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -277.063222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.063222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.063222 (E_RNA)
where:
Base-Base interactions energy: -189.539
where: short stacking energy: -81.498
Base-Backbone interact. energy: -0.088
local terms energy: -87.436356
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -25.696
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: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -233.528536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.528536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.528536 (E_RNA)
where:
Base-Base interactions energy: -161.753
where: short stacking energy: -62.371
Base-Backbone interact. energy: 0.789
local terms energy: -72.564383
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -15.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -110.413252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.413252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.413252 (E_RNA)
where:
Base-Base interactions energy: -50.124
where: short stacking energy: -46.547
Base-Backbone interact. energy: -0.176
local terms energy: -60.114026
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -6.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -97.064101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.064101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.064101 (E_RNA)
where:
Base-Base interactions energy: -44.625
where: short stacking energy: -32.283
Base-Backbone interact. energy: -0.145
local terms energy: -52.294664
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -8.997
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: 0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -95.687134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.687134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.687134 (E_RNA)
where:
Base-Base interactions energy: -42.755
where: short stacking energy: -33.733
Base-Backbone interact. energy: -0.252
local terms energy: -52.680169
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: 1.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -88.333718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.333718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.333718 (E_RNA)
where:
Base-Base interactions energy: -28.489
where: short stacking energy: -24.518
Base-Backbone interact. energy: -0.189
local terms energy: -59.655728
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: 4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -296.320276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.320276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.320276 (E_RNA)
where:
Base-Base interactions energy: -198.716
where: short stacking energy: -88.472
Base-Backbone interact. energy: -0.111
local terms energy: -97.493536
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -26.944
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: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -289.878317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.878317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.878317 (E_RNA)
where:
Base-Base interactions energy: -195.927
where: short stacking energy: -88.126
Base-Backbone interact. energy: -0.109
local terms energy: -93.842037
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -26.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -261.923884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.923884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.923884 (E_RNA)
where:
Base-Base interactions energy: -172.183
where: short stacking energy: -69.243
Base-Backbone interact. energy: -0.079
local terms energy: -89.662276
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -21.257
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: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -277.122627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.122627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.122627 (E_RNA)
where:
Base-Base interactions energy: -188.345
where: short stacking energy: -74.808
Base-Backbone interact. energy: -0.085
local terms energy: -88.692302
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -22.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -271.959028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.959028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.959028 (E_RNA)
where:
Base-Base interactions energy: -178.222
where: short stacking energy: -80.704
Base-Backbone interact. energy: -0.010
local terms energy: -93.727450
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -9.120
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: 6, replica: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -231.577794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.577794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.577794 (E_RNA)
where:
Base-Base interactions energy: -155.150
where: short stacking energy: -60.868
Base-Backbone interact. energy: -0.047
local terms energy: -76.381514
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -15.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -117.152061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.152061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.152061 (E_RNA)
where:
Base-Base interactions energy: -56.236
where: short stacking energy: -39.843
Base-Backbone interact. energy: -0.336
local terms energy: -60.580588
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -3.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -92.534739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.534739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.534739 (E_RNA)
where:
Base-Base interactions energy: -36.097
where: short stacking energy: -26.520
Base-Backbone interact. energy: -0.215
local terms energy: -56.223234
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -0.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -112.562569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.562569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.562569 (E_RNA)
where:
Base-Base interactions energy: -55.866
where: short stacking energy: -38.237
Base-Backbone interact. energy: -0.204
local terms energy: -56.492048
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -88.282747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.282747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.282747 (E_RNA)
where:
Base-Base interactions energy: -30.661
where: short stacking energy: -23.910
Base-Backbone interact. energy: -0.281
local terms energy: -57.340471
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: 1.893
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: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -288.748966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.748966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.748966 (E_RNA)
where:
Base-Base interactions energy: -199.562
where: short stacking energy: -84.904
Base-Backbone interact. energy: -0.002
local terms energy: -89.185276
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -21.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -290.275545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.275545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.275545 (E_RNA)
where:
Base-Base interactions energy: -199.666
where: short stacking energy: -92.427
Base-Backbone interact. energy: -0.083
local terms energy: -90.526050
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -27.593
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: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -277.825984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.825984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.825984 (E_RNA)
where:
Base-Base interactions energy: -179.205
where: short stacking energy: -77.824
Base-Backbone interact. energy: -0.051
local terms energy: -98.569788
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -21.849
flat angles C4'-P-C4' energy: -21.629
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -24.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -259.712864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.712864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.712864 (E_RNA)
where:
Base-Base interactions energy: -179.427
where: short stacking energy: -74.485
Base-Backbone interact. energy: -0.005
local terms energy: -80.281340
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -260.316164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.316164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.316164 (E_RNA)
where:
Base-Base interactions energy: -182.174
where: short stacking energy: -79.457
Base-Backbone interact. energy: -1.148
local terms energy: -76.994554
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -18.865
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: 6, replica: 8
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -216.810758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.810758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.810758 (E_RNA)
where:
Base-Base interactions energy: -140.994
where: short stacking energy: -62.420
Base-Backbone interact. energy: -0.465
local terms energy: -75.351678
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -5.584
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: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -99.317670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.317670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.317670 (E_RNA)
where:
Base-Base interactions energy: -39.106
where: short stacking energy: -39.106
Base-Backbone interact. energy: -0.233
local terms energy: -59.978118
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -94.867771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.867771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.867771 (E_RNA)
where:
Base-Base interactions energy: -35.177
where: short stacking energy: -35.177
Base-Backbone interact. energy: -0.099
local terms energy: -59.591821
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -90.302632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.302632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.302632 (E_RNA)
where:
Base-Base interactions energy: -21.622
where: short stacking energy: -21.622
Base-Backbone interact. energy: -0.217
local terms energy: -68.463364
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -21.546
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -5.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -87.192880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.192880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.192880 (E_RNA)
where:
Base-Base interactions energy: -37.518
where: short stacking energy: -24.158
Base-Backbone interact. energy: -0.444
local terms energy: -49.231114
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -7.396
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: 4.358
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: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -292.898220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.898220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.898220 (E_RNA)
where:
Base-Base interactions energy: -197.820
where: short stacking energy: -85.365
Base-Backbone interact. energy: -0.514
local terms energy: -94.564691
where:
bonds (distance) C4'-P energy: -18.880
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -24.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -281.621329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.621329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.621329 (E_RNA)
where:
Base-Base interactions energy: -189.336
where: short stacking energy: -79.404
Base-Backbone interact. energy: -0.112
local terms energy: -92.172851
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -23.634
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: 7
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -282.022078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.022078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.022078 (E_RNA)
where:
Base-Base interactions energy: -198.031
where: short stacking energy: -83.129
Base-Backbone interact. energy: -0.952
local terms energy: -83.039358
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -22.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -266.764176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.764176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.764176 (E_RNA)
where:
Base-Base interactions energy: -188.132
where: short stacking energy: -71.655
Base-Backbone interact. energy: -0.055
local terms energy: -78.577331
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -21.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -239.077348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.077348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.077348 (E_RNA)
where:
Base-Base interactions energy: -163.154
where: short stacking energy: -57.826
Base-Backbone interact. energy: -0.191
local terms energy: -75.731977
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -214.612392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.612392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.612392 (E_RNA)
where:
Base-Base interactions energy: -133.293
where: short stacking energy: -65.464
Base-Backbone interact. energy: -0.155
local terms energy: -81.164388
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -19.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -101.098603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.098603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.098603 (E_RNA)
where:
Base-Base interactions energy: -35.385
where: short stacking energy: -34.712
Base-Backbone interact. energy: -0.240
local terms energy: -65.474068
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -2.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -103.420559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.420559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.420559 (E_RNA)
where:
Base-Base interactions energy: -44.768
where: short stacking energy: -44.768
Base-Backbone interact. energy: -0.086
local terms energy: -58.566774
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -11.809
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: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -88.838259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.838259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.838259 (E_RNA)
where:
Base-Base interactions energy: -35.383
where: short stacking energy: -30.907
Base-Backbone interact. energy: -0.221
local terms energy: -53.234108
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -92.607810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.607810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.607810 (E_RNA)
where:
Base-Base interactions energy: -40.671
where: short stacking energy: -29.661
Base-Backbone interact. energy: -0.090
local terms energy: -51.847031
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -292.635426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.635426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.635426 (E_RNA)
where:
Base-Base interactions energy: -195.058
where: short stacking energy: -82.567
Base-Backbone interact. energy: -0.917
local terms energy: -96.660127
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -27.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -285.766685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.766685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.766685 (E_RNA)
where:
Base-Base interactions energy: -188.478
where: short stacking energy: -85.063
Base-Backbone interact. energy: -0.068
local terms energy: -97.220595
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -22.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -280.932292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.932292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.932292 (E_RNA)
where:
Base-Base interactions energy: -186.370
where: short stacking energy: -80.837
Base-Backbone interact. energy: -0.089
local terms energy: -94.473863
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -26.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -256.870319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.870319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.870319 (E_RNA)
where:
Base-Base interactions energy: -174.257
where: short stacking energy: -65.579
Base-Backbone interact. energy: -0.164
local terms energy: -82.450033
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -248.857305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.857305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.857305 (E_RNA)
where:
Base-Base interactions energy: -165.385
where: short stacking energy: -77.153
Base-Backbone interact. energy: -0.782
local terms energy: -82.690948
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -21.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -214.458417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.458417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.458417 (E_RNA)
where:
Base-Base interactions energy: -135.511
where: short stacking energy: -65.850
Base-Backbone interact. energy: -0.442
local terms energy: -78.505650
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -19.994
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: 7, replica: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -108.207502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.207502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.207502 (E_RNA)
where:
Base-Base interactions energy: -35.316
where: short stacking energy: -34.368
Base-Backbone interact. energy: -0.015
local terms energy: -72.877008
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -8.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -100.285077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.285077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.285077 (E_RNA)
where:
Base-Base interactions energy: -36.392
where: short stacking energy: -36.392
Base-Backbone interact. energy: -0.408
local terms energy: -63.485481
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -6.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -92.099073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.099073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.099073 (E_RNA)
where:
Base-Base interactions energy: -42.486
where: short stacking energy: -31.112
Base-Backbone interact. energy: -0.144
local terms energy: -49.468862
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: 4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -90.279155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.279155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.279155 (E_RNA)
where:
Base-Base interactions energy: -34.234
where: short stacking energy: -33.107
Base-Backbone interact. energy: -0.081
local terms energy: -55.964650
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -289.784068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.784068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.784068 (E_RNA)
where:
Base-Base interactions energy: -186.457
where: short stacking energy: -83.066
Base-Backbone interact. energy: -0.001
local terms energy: -103.325310
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -12.791
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: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -291.336555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.336555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.336555 (E_RNA)
where:
Base-Base interactions energy: -190.537
where: short stacking energy: -84.443
Base-Backbone interact. energy: -0.099
local terms energy: -100.700764
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -20.776
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -24.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -283.766862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.766862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.766862 (E_RNA)
where:
Base-Base interactions energy: -196.140
where: short stacking energy: -86.076
Base-Backbone interact. energy: -0.049
local terms energy: -87.578012
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -22.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -267.648237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.648237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.648237 (E_RNA)
where:
Base-Base interactions energy: -179.133
where: short stacking energy: -83.891
Base-Backbone interact. energy: -0.531
local terms energy: -87.984369
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -23.462
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: 225
Temperature: 1.100000
Total energy: -265.124343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.124343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.124343 (E_RNA)
where:
Base-Base interactions energy: -183.741
where: short stacking energy: -64.643
Base-Backbone interact. energy: -0.243
local terms energy: -81.140847
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -10.673
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: 6, replica: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -228.379222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.379222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.379222 (E_RNA)
where:
Base-Base interactions energy: -141.914
where: short stacking energy: -54.823
Base-Backbone interact. energy: -0.071
local terms energy: -86.394604
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -16.906
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: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -113.192362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.192362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.192362 (E_RNA)
where:
Base-Base interactions energy: -44.260
where: short stacking energy: -37.719
Base-Backbone interact. energy: -0.183
local terms energy: -68.748873
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -97.933049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.933049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.933049 (E_RNA)
where:
Base-Base interactions energy: -47.636
where: short stacking energy: -20.887
Base-Backbone interact. energy: 1.891
local terms energy: -52.188427
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: 4.196
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: 9, replica: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -92.718043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.718043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.718043 (E_RNA)
where:
Base-Base interactions energy: -30.033
where: short stacking energy: -29.495
Base-Backbone interact. energy: -0.291
local terms energy: -62.394399
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -4.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -87.490534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.490534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.490534 (E_RNA)
where:
Base-Base interactions energy: -29.942
where: short stacking energy: -28.739
Base-Backbone interact. energy: -0.906
local terms energy: -56.642824
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -3.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -296.697562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.697562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.697562 (E_RNA)
where:
Base-Base interactions energy: -200.763
where: short stacking energy: -85.809
Base-Backbone interact. energy: 0.606
local terms energy: -96.540543
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -26.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -291.279462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.279462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.279462 (E_RNA)
where:
Base-Base interactions energy: -196.749
where: short stacking energy: -81.316
Base-Backbone interact. energy: -0.092
local terms energy: -94.438031
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -25.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -274.620679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.620679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.620679 (E_RNA)
where:
Base-Base interactions energy: -181.600
where: short stacking energy: -78.534
Base-Backbone interact. energy: -0.056
local terms energy: -92.964363
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -20.482
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -24.113
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: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -295.545375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.545375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.545375 (E_RNA)
where:
Base-Base interactions energy: -199.004
where: short stacking energy: -82.000
Base-Backbone interact. energy: -0.557
local terms energy: -95.985026
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -16.516
tors. eta vs tors. theta energy: -23.567
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: 226
Temperature: 1.100000
Total energy: -277.186449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.186449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.186449 (E_RNA)
where:
Base-Base interactions energy: -191.747
where: short stacking energy: -78.433
Base-Backbone interact. energy: -0.066
local terms energy: -85.373945
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -25.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -223.727541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.727541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.727541 (E_RNA)
where:
Base-Base interactions energy: -139.567
where: short stacking energy: -57.658
Base-Backbone interact. energy: -0.101
local terms energy: -84.059374
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -17.317
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: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -123.009342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.009342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.009342 (E_RNA)
where:
Base-Base interactions energy: -56.062
where: short stacking energy: -37.438
Base-Backbone interact. energy: -0.131
local terms energy: -66.816935
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -103.361999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.361999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.361999 (E_RNA)
where:
Base-Base interactions energy: -38.336
where: short stacking energy: -38.336
Base-Backbone interact. energy: 0.607
local terms energy: -65.633335
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -6.128
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: 9, replica: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -93.193138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.193138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.193138 (E_RNA)
where:
Base-Base interactions energy: -27.543
where: short stacking energy: -27.543
Base-Backbone interact. energy: 0.861
local terms energy: -66.511057
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -5.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -86.131210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.131210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.131210 (E_RNA)
where:
Base-Base interactions energy: -31.070
where: short stacking energy: -30.906
Base-Backbone interact. energy: -0.059
local terms energy: -55.002401
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -3.491
tors. eta vs tors. theta energy: -2.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -298.690249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.690249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.690249 (E_RNA)
where:
Base-Base interactions energy: -194.146
where: short stacking energy: -78.678
Base-Backbone interact. energy: -1.081
local terms energy: -103.463143
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -15.847
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: 2, replica: 5
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -294.029022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.029022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.029022 (E_RNA)
where:
Base-Base interactions energy: -202.342
where: short stacking energy: -82.096
Base-Backbone interact. energy: -0.026
local terms energy: -91.661100
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -23.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -277.720197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.720197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.720197 (E_RNA)
where:
Base-Base interactions energy: -194.673
where: short stacking energy: -79.107
Base-Backbone interact. energy: -0.097
local terms energy: -82.950198
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -24.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -268.405520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.405520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.405520 (E_RNA)
where:
Base-Base interactions energy: -179.886
where: short stacking energy: -63.725
Base-Backbone interact. energy: -0.665
local terms energy: -87.854112
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -14.580
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: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -252.570437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.570437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.570437 (E_RNA)
where:
Base-Base interactions energy: -169.652
where: short stacking energy: -70.480
Base-Backbone interact. energy: -0.762
local terms energy: -82.156360
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -20.965
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: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -221.223291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.223291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.223291 (E_RNA)
where:
Base-Base interactions energy: -141.783
where: short stacking energy: -66.455
Base-Backbone interact. energy: -0.002
local terms energy: -79.437614
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -11.048
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: 7, replica: 9
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -103.036610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.036610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.036610 (E_RNA)
where:
Base-Base interactions energy: -47.102
where: short stacking energy: -42.148
Base-Backbone interact. energy: 0.042
local terms energy: -55.976880
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -8.701
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -102.045430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.045430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.045430 (E_RNA)
where:
Base-Base interactions energy: -36.688
where: short stacking energy: -32.623
Base-Backbone interact. energy: -0.038
local terms energy: -65.319249
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -7.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -96.973362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.973362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.973362 (E_RNA)
where:
Base-Base interactions energy: -37.052
where: short stacking energy: -33.439
Base-Backbone interact. energy: -0.127
local terms energy: -59.794772
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -4.800
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: 1
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -94.330318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.330318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.330318 (E_RNA)
where:
Base-Base interactions energy: -48.280
where: short stacking energy: -26.553
Base-Backbone interact. energy: -0.925
local terms energy: -45.125133
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -5.003
tors. eta vs tors. theta energy: -0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -300.769272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.769272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.769272 (E_RNA)
where:
Base-Base interactions energy: -205.636
where: short stacking energy: -85.255
Base-Backbone interact. energy: 1.079
local terms energy: -96.212285
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -25.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -289.485049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.485049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.485049 (E_RNA)
where:
Base-Base interactions energy: -201.366
where: short stacking energy: -80.570
Base-Backbone interact. energy: 0.906
local terms energy: -89.025862
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -24.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -298.211069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.211069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.211069 (E_RNA)
where:
Base-Base interactions energy: -199.067
where: short stacking energy: -81.846
Base-Backbone interact. energy: -0.102
local terms energy: -99.041363
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -19.670
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -25.973
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: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -281.275805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.275805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.275805 (E_RNA)
where:
Base-Base interactions energy: -194.862
where: short stacking energy: -80.731
Base-Backbone interact. energy: -1.097
local terms energy: -85.316673
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -24.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -264.701497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.701497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.701497 (E_RNA)
where:
Base-Base interactions energy: -181.755
where: short stacking energy: -72.999
Base-Backbone interact. energy: -0.317
local terms energy: -82.628936
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -19.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -222.033234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.033234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.033234 (E_RNA)
where:
Base-Base interactions energy: -140.595
where: short stacking energy: -67.269
Base-Backbone interact. energy: -0.032
local terms energy: -81.406535
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -22.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -121.167495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.167495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.167495 (E_RNA)
where:
Base-Base interactions energy: -60.180
where: short stacking energy: -45.686
Base-Backbone interact. energy: -0.284
local terms energy: -60.703395
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -9.190
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: 2
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -100.074807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.074807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.074807 (E_RNA)
where:
Base-Base interactions energy: -41.457
where: short stacking energy: -37.084
Base-Backbone interact. energy: -0.112
local terms energy: -58.505936
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -89.656047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.656047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.656047 (E_RNA)
where:
Base-Base interactions energy: -31.573
where: short stacking energy: -28.166
Base-Backbone interact. energy: -0.096
local terms energy: -57.987189
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -88.147216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.147216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.147216 (E_RNA)
where:
Base-Base interactions energy: -31.573
where: short stacking energy: -24.296
Base-Backbone interact. energy: -0.504
local terms energy: -56.069965
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -9.254
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -0.674
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: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -295.708877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.708877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.708877 (E_RNA)
where:
Base-Base interactions energy: -202.126
where: short stacking energy: -81.756
Base-Backbone interact. energy: -0.065
local terms energy: -93.518180
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -25.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -297.437630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.437630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.437630 (E_RNA)
where:
Base-Base interactions energy: -202.575
where: short stacking energy: -79.602
Base-Backbone interact. energy: -0.110
local terms energy: -94.752375
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -21.141
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -24.402
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: 3, replica: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -295.911021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.911021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.911021 (E_RNA)
where:
Base-Base interactions energy: -200.098
where: short stacking energy: -83.783
Base-Backbone interact. energy: -0.727
local terms energy: -95.086156
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -26.459
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: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -279.582761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.582761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.582761 (E_RNA)
where:
Base-Base interactions energy: -190.396
where: short stacking energy: -86.332
Base-Backbone interact. energy: -0.118
local terms energy: -89.068682
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -26.845
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: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -277.142212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.142212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.142212 (E_RNA)
where:
Base-Base interactions energy: -195.107
where: short stacking energy: -81.964
Base-Backbone interact. energy: 0.579
local terms energy: -82.614266
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -23.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -210.557643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.557643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.557643 (E_RNA)
where:
Base-Base interactions energy: -140.858
where: short stacking energy: -61.060
Base-Backbone interact. energy: -0.021
local terms energy: -69.678380
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -5.844
tors. eta vs tors. theta energy: -12.854
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: 7, replica: 9
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -105.520389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.520389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.520389 (E_RNA)
where:
Base-Base interactions energy: -46.508
where: short stacking energy: -29.275
Base-Backbone interact. energy: -0.311
local terms energy: -58.701127
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -95.682997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.682997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.682997 (E_RNA)
where:
Base-Base interactions energy: -33.922
where: short stacking energy: -33.922
Base-Backbone interact. energy: 1.833
local terms energy: -63.593568
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -92.624091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.624091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.624091 (E_RNA)
where:
Base-Base interactions energy: -33.244
where: short stacking energy: -33.222
Base-Backbone interact. energy: -0.283
local terms energy: -59.097411
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -5.154
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: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -93.900712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.900712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.900712 (E_RNA)
where:
Base-Base interactions energy: -34.084
where: short stacking energy: -28.051
Base-Backbone interact. energy: -0.480
local terms energy: -59.336840
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -3.520
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: 230
Temperature: 0.900000
Total energy: -301.561866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.561866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.561866 (E_RNA)
where:
Base-Base interactions energy: -206.691
where: short stacking energy: -85.183
Base-Backbone interact. energy: -0.104
local terms energy: -94.766410
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -27.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -297.918656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.918656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.918656 (E_RNA)
where:
Base-Base interactions energy: -206.811
where: short stacking energy: -91.210
Base-Backbone interact. energy: -0.105
local terms energy: -91.002436
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -27.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -282.651421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.651421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.651421 (E_RNA)
where:
Base-Base interactions energy: -186.648
where: short stacking energy: -88.779
Base-Backbone interact. energy: -0.321
local terms energy: -95.682242
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -22.893
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -26.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -278.945960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.945960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.945960 (E_RNA)
where:
Base-Base interactions energy: -184.448
where: short stacking energy: -81.110
Base-Backbone interact. energy: -0.009
local terms energy: -94.489185
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -19.612
tors. eta vs tors. theta energy: -22.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -270.752607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.752607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.752607 (E_RNA)
where:
Base-Base interactions energy: -189.708
where: short stacking energy: -77.542
Base-Backbone interact. energy: -0.185
local terms energy: -80.860261
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -22.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -223.731284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.731284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.731284 (E_RNA)
where:
Base-Base interactions energy: -149.776
where: short stacking energy: -64.981
Base-Backbone interact. energy: -0.007
local terms energy: -73.948110
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -115.266488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.266488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.266488 (E_RNA)
where:
Base-Base interactions energy: -54.462
where: short stacking energy: -50.631
Base-Backbone interact. energy: -0.261
local terms energy: -60.543730
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -94.993228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.993228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.993228 (E_RNA)
where:
Base-Base interactions energy: -40.321
where: short stacking energy: -36.931
Base-Backbone interact. energy: -0.438
local terms energy: -54.234178
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -10.298
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: 9, replica: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -100.566865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.566865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.566865 (E_RNA)
where:
Base-Base interactions energy: -43.121
where: short stacking energy: -27.228
Base-Backbone interact. energy: 1.340
local terms energy: -58.785318
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -3.977
tors. eta vs tors. theta energy: -2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -92.731692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.731692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.731692 (E_RNA)
where:
Base-Base interactions energy: -34.480
where: short stacking energy: -30.239
Base-Backbone interact. energy: -0.213
local terms energy: -58.039081
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -4.159
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: 231
Temperature: 0.900000
Total energy: -295.602937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.602937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.602937 (E_RNA)
where:
Base-Base interactions energy: -201.537
where: short stacking energy: -78.745
Base-Backbone interact. energy: -0.220
local terms energy: -93.846523
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -24.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -281.725244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.725244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.725244 (E_RNA)
where:
Base-Base interactions energy: -195.894
where: short stacking energy: -81.463
Base-Backbone interact. energy: 0.266
local terms energy: -86.096818
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -23.551
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: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -289.737095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.737095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.737095 (E_RNA)
where:
Base-Base interactions energy: -195.951
where: short stacking energy: -80.130
Base-Backbone interact. energy: -0.031
local terms energy: -93.754605
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -27.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -268.010328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.010328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.010328 (E_RNA)
where:
Base-Base interactions energy: -178.849
where: short stacking energy: -82.209
Base-Backbone interact. energy: 0.835
local terms energy: -89.996714
where:
bonds (distance) C4'-P energy: -20.274
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -22.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -258.246419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.246419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.246419 (E_RNA)
where:
Base-Base interactions energy: -174.913
where: short stacking energy: -75.141
Base-Backbone interact. energy: -0.085
local terms energy: -83.248669
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -19.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -207.452680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.452680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.452680 (E_RNA)
where:
Base-Base interactions energy: -127.436
where: short stacking energy: -53.712
Base-Backbone interact. energy: -0.291
local terms energy: -79.725671
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -12.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -114.487476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.487476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.487476 (E_RNA)
where:
Base-Base interactions energy: -54.517
where: short stacking energy: -45.533
Base-Backbone interact. energy: 0.129
local terms energy: -60.099346
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -2.770
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: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -104.621438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.621438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.621438 (E_RNA)
where:
Base-Base interactions energy: -35.445
where: short stacking energy: -34.890
Base-Backbone interact. energy: -0.080
local terms energy: -69.096794
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -9.854
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: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -95.025880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.025880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.025880 (E_RNA)
where:
Base-Base interactions energy: -30.691
where: short stacking energy: -29.191
Base-Backbone interact. energy: -0.436
local terms energy: -63.898837
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -3.973
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: 231
Temperature: 1.350000
Total energy: -87.471542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.471542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.471542 (E_RNA)
where:
Base-Base interactions energy: -24.506
where: short stacking energy: -24.675
Base-Backbone interact. energy: 1.744
local terms energy: -64.709471
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -293.419513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.419513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.419513 (E_RNA)
where:
Base-Base interactions energy: -199.711
where: short stacking energy: -80.443
Base-Backbone interact. energy: 0.215
local terms energy: -93.924460
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -20.419
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -23.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -288.643784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.643784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.643784 (E_RNA)
where:
Base-Base interactions energy: -199.059
where: short stacking energy: -74.947
Base-Backbone interact. energy: -0.347
local terms energy: -89.237256
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -19.958
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -22.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -282.747022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.747022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.747022 (E_RNA)
where:
Base-Base interactions energy: -189.275
where: short stacking energy: -82.307
Base-Backbone interact. energy: -0.010
local terms energy: -93.461776
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -12.240
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: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -268.169200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.169200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.169200 (E_RNA)
where:
Base-Base interactions energy: -172.595
where: short stacking energy: -76.861
Base-Backbone interact. energy: -0.234
local terms energy: -95.339964
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -25.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -236.893020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.893020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.893020 (E_RNA)
where:
Base-Base interactions energy: -154.423
where: short stacking energy: -58.673
Base-Backbone interact. energy: -0.996
local terms energy: -81.474057
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -19.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -245.057600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.057600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.057600 (E_RNA)
where:
Base-Base interactions energy: -166.450
where: short stacking energy: -63.502
Base-Backbone interact. energy: 2.422
local terms energy: -81.029020
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -19.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -118.102636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.102636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.102636 (E_RNA)
where:
Base-Base interactions energy: -55.041
where: short stacking energy: -36.939
Base-Backbone interact. energy: -1.132
local terms energy: -61.928985
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -5.242
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: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -102.937381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.937381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.937381 (E_RNA)
where:
Base-Base interactions energy: -41.065
where: short stacking energy: -36.444
Base-Backbone interact. energy: -0.291
local terms energy: -61.580658
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -8.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -93.722257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.722257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.722257 (E_RNA)
where:
Base-Base interactions energy: -37.395
where: short stacking energy: -25.378
Base-Backbone interact. energy: -0.411
local terms energy: -55.916047
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: 1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -91.569347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.569347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.569347 (E_RNA)
where:
Base-Base interactions energy: -40.246
where: short stacking energy: -23.349
Base-Backbone interact. energy: 0.142
local terms energy: -51.465666
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: 1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -300.434798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.434798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.434798 (E_RNA)
where:
Base-Base interactions energy: -207.752
where: short stacking energy: -88.196
Base-Backbone interact. energy: -0.010
local terms energy: -92.673119
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -26.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -281.456161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.456161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.456161 (E_RNA)
where:
Base-Base interactions energy: -189.588
where: short stacking energy: -80.525
Base-Backbone interact. energy: -0.429
local terms energy: -91.440057
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -24.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -288.920648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.920648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.920648 (E_RNA)
where:
Base-Base interactions energy: -197.227
where: short stacking energy: -84.801
Base-Backbone interact. energy: -0.084
local terms energy: -91.609828
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -12.074
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: 4, replica: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -246.668368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.668368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.668368 (E_RNA)
where:
Base-Base interactions energy: -158.721
where: short stacking energy: -53.866
Base-Backbone interact. energy: -0.183
local terms energy: -87.763853
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -20.459
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -18.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -266.635578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.635578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.635578 (E_RNA)
where:
Base-Base interactions energy: -180.864
where: short stacking energy: -79.072
Base-Backbone interact. energy: -0.008
local terms energy: -85.763594
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -6.312
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: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -260.366661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.366661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.366661 (E_RNA)
where:
Base-Base interactions energy: -181.168
where: short stacking energy: -65.990
Base-Backbone interact. energy: -0.105
local terms energy: -79.093380
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -13.880
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: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -112.444396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.444396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.444396 (E_RNA)
where:
Base-Base interactions energy: -43.412
where: short stacking energy: -39.005
Base-Backbone interact. energy: 1.404
local terms energy: -70.436319
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -20.403
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -7.093
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: 2
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -103.879614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.879614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.879614 (E_RNA)
where:
Base-Base interactions energy: -36.733
where: short stacking energy: -34.788
Base-Backbone interact. energy: -0.105
local terms energy: -67.041644
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -98.495534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.495534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.495534 (E_RNA)
where:
Base-Base interactions energy: -36.560
where: short stacking energy: -35.672
Base-Backbone interact. energy: -0.111
local terms energy: -61.824667
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -93.845171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.845171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.845171 (E_RNA)
where:
Base-Base interactions energy: -40.300
where: short stacking energy: -13.329
Base-Backbone interact. energy: -0.266
local terms energy: -53.278812
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: 1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -292.536963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.536963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.536963 (E_RNA)
where:
Base-Base interactions energy: -198.367
where: short stacking energy: -83.870
Base-Backbone interact. energy: -0.105
local terms energy: -94.064500
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -26.086
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: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -288.635550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.635550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.635550 (E_RNA)
where:
Base-Base interactions energy: -200.962
where: short stacking energy: -86.251
Base-Backbone interact. energy: -0.142
local terms energy: -87.531584
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -25.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -241.578160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.578160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.578160 (E_RNA)
where:
Base-Base interactions energy: -155.459
where: short stacking energy: -65.334
Base-Backbone interact. energy: -0.018
local terms energy: -86.100720
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -276.129443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.129443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.129443 (E_RNA)
where:
Base-Base interactions energy: -185.997
where: short stacking energy: -76.530
Base-Backbone interact. energy: -0.095
local terms energy: -90.036624
where:
bonds (distance) C4'-P energy: -20.894
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -22.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -275.998739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.998739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.998739 (E_RNA)
where:
Base-Base interactions energy: -194.640
where: short stacking energy: -73.453
Base-Backbone interact. energy: -0.161
local terms energy: -81.198044
where:
bonds (distance) C4'-P energy: -20.178
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -22.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -257.088638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.088638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.088638 (E_RNA)
where:
Base-Base interactions energy: -173.940
where: short stacking energy: -80.652
Base-Backbone interact. energy: -0.140
local terms energy: -83.008605
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -23.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -127.393242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.393242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.393242 (E_RNA)
where:
Base-Base interactions energy: -69.385
where: short stacking energy: -42.093
Base-Backbone interact. energy: 1.611
local terms energy: -59.618406
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -1.106
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: 2
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -99.202111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.202111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.202111 (E_RNA)
where:
Base-Base interactions energy: -30.835
where: short stacking energy: -30.772
Base-Backbone interact. energy: 0.079
local terms energy: -68.445809
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -111.972695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.972695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.972695 (E_RNA)
where:
Base-Base interactions energy: -47.132
where: short stacking energy: -35.934
Base-Backbone interact. energy: 2.425
local terms energy: -67.266364
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -4.551
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: 234
Temperature: 1.350000
Total energy: -84.474084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.474084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.474084 (E_RNA)
where:
Base-Base interactions energy: -31.862
where: short stacking energy: -28.366
Base-Backbone interact. energy: 1.423
local terms energy: -54.034801
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: 1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -290.344471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.344471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.344471 (E_RNA)
where:
Base-Base interactions energy: -194.803
where: short stacking energy: -84.444
Base-Backbone interact. energy: -0.577
local terms energy: -94.964402
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -28.531
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: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -283.517850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.517850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.517850 (E_RNA)
where:
Base-Base interactions energy: -193.349
where: short stacking energy: -86.054
Base-Backbone interact. energy: 1.805
local terms energy: -91.974293
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -25.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -248.211781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.211781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.211781 (E_RNA)
where:
Base-Base interactions energy: -148.683
where: short stacking energy: -74.188
Base-Backbone interact. energy: -0.001
local terms energy: -99.528245
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -27.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -258.702820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.702820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.702820 (E_RNA)
where:
Base-Base interactions energy: -176.774
where: short stacking energy: -60.907
Base-Backbone interact. energy: -0.444
local terms energy: -81.484838
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -274.263359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.263359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.263359 (E_RNA)
where:
Base-Base interactions energy: -182.478
where: short stacking energy: -71.181
Base-Backbone interact. energy: -0.142
local terms energy: -91.643050
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -13.997
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: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -264.312751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.312751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.312751 (E_RNA)
where:
Base-Base interactions energy: -182.291
where: short stacking energy: -81.798
Base-Backbone interact. energy: -0.002
local terms energy: -82.019226
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -9.991
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -20.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -112.521222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.521222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.521222 (E_RNA)
where:
Base-Base interactions energy: -52.829
where: short stacking energy: -29.802
Base-Backbone interact. energy: -0.313
local terms energy: -59.379076
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -131.359084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.359084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.359084 (E_RNA)
where:
Base-Base interactions energy: -72.237
where: short stacking energy: -52.271
Base-Backbone interact. energy: -0.191
local terms energy: -58.931614
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -9.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -102.617207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.617207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.617207 (E_RNA)
where:
Base-Base interactions energy: -41.265
where: short stacking energy: -34.251
Base-Backbone interact. energy: -0.118
local terms energy: -61.234768
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -2.076
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: 235
Temperature: 1.350000
Total energy: -85.638943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.638943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.638943 (E_RNA)
where:
Base-Base interactions energy: -36.038
where: short stacking energy: -29.003
Base-Backbone interact. energy: -0.182
local terms energy: -49.418795
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -290.294057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.294057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.294057 (E_RNA)
where:
Base-Base interactions energy: -192.073
where: short stacking energy: -81.053
Base-Backbone interact. energy: -0.071
local terms energy: -98.150321
where:
bonds (distance) C4'-P energy: -19.516
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -24.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -281.017294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.017294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.017294 (E_RNA)
where:
Base-Base interactions energy: -191.480
where: short stacking energy: -79.428
Base-Backbone interact. energy: -0.098
local terms energy: -89.439832
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -21.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -267.885296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.885296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.885296 (E_RNA)
where:
Base-Base interactions energy: -186.219
where: short stacking energy: -66.469
Base-Backbone interact. energy: 1.689
local terms energy: -83.355005
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -17.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -233.166860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.166860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.166860 (E_RNA)
where:
Base-Base interactions energy: -150.002
where: short stacking energy: -74.174
Base-Backbone interact. energy: -0.047
local terms energy: -83.117338
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -18.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -268.287358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.287358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.287358 (E_RNA)
where:
Base-Base interactions energy: -181.181
where: short stacking energy: -82.294
Base-Backbone interact. energy: -0.048
local terms energy: -87.058922
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -20.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -260.651975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.651975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.651975 (E_RNA)
where:
Base-Base interactions energy: -174.300
where: short stacking energy: -77.335
Base-Backbone interact. energy: -0.100
local terms energy: -86.251553
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -23.443
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: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -112.223515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.223515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.223515 (E_RNA)
where:
Base-Base interactions energy: -37.551
where: short stacking energy: -27.707
Base-Backbone interact. energy: -0.268
local terms energy: -74.404774
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -15.115
tors. eta vs tors. theta energy: -5.520
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: 9
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -131.248401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.248401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.248401 (E_RNA)
where:
Base-Base interactions energy: -70.923
where: short stacking energy: -34.522
Base-Backbone interact. energy: 0.740
local terms energy: -61.065696
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -9.184
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -7.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -99.366887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.366887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.366887 (E_RNA)
where:
Base-Base interactions energy: -31.670
where: short stacking energy: -25.698
Base-Backbone interact. energy: -0.113
local terms energy: -67.583744
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -0.855
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: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -93.671339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.671339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.671339 (E_RNA)
where:
Base-Base interactions energy: -34.870
where: short stacking energy: -16.786
Base-Backbone interact. energy: -0.387
local terms energy: -58.413620
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: 1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -299.139032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.139032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.139032 (E_RNA)
where:
Base-Base interactions energy: -203.323
where: short stacking energy: -87.995
Base-Backbone interact. energy: -0.612
local terms energy: -95.203850
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -25.854
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: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -288.556711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.556711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.556711 (E_RNA)
where:
Base-Base interactions energy: -196.937
where: short stacking energy: -81.055
Base-Backbone interact. energy: -0.376
local terms energy: -91.244433
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -23.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -275.415604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.415604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.415604 (E_RNA)
where:
Base-Base interactions energy: -193.580
where: short stacking energy: -69.873
Base-Backbone interact. energy: -0.108
local terms energy: -81.727575
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -268.525369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.525369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.525369 (E_RNA)
where:
Base-Base interactions energy: -173.547
where: short stacking energy: -79.018
Base-Backbone interact. energy: -0.001
local terms energy: -94.977098
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -23.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -225.962870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.962870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.962870 (E_RNA)
where:
Base-Base interactions energy: -149.800
where: short stacking energy: -70.351
Base-Backbone interact. energy: -0.375
local terms energy: -75.787228
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -16.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -264.784255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.784255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.784255 (E_RNA)
where:
Base-Base interactions energy: -182.581
where: short stacking energy: -77.859
Base-Backbone interact. energy: -0.062
local terms energy: -82.140967
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -25.733
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: 7, replica: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -108.839790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.839790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.839790 (E_RNA)
where:
Base-Base interactions energy: -43.727
where: short stacking energy: -43.727
Base-Backbone interact. energy: -0.301
local terms energy: -64.811708
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -8.382
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: 8, replica: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -92.041388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.041388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.041388 (E_RNA)
where:
Base-Base interactions energy: -37.894
where: short stacking energy: -18.912
Base-Backbone interact. energy: -0.330
local terms energy: -53.817635
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -93.735173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.735173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.735173 (E_RNA)
where:
Base-Base interactions energy: -38.207
where: short stacking energy: -28.594
Base-Backbone interact. energy: 1.237
local terms energy: -56.764547
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: 0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -90.952902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.952902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.952902 (E_RNA)
where:
Base-Base interactions energy: -45.001
where: short stacking energy: -25.724
Base-Backbone interact. energy: 0.226
local terms energy: -46.178030
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -3.140
tors. eta vs tors. theta energy: 3.816
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: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -289.820642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.820642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.820642 (E_RNA)
where:
Base-Base interactions energy: -198.301
where: short stacking energy: -80.140
Base-Backbone interact. energy: -0.003
local terms energy: -91.516232
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -25.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -289.404620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.404620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.404620 (E_RNA)
where:
Base-Base interactions energy: -201.993
where: short stacking energy: -83.470
Base-Backbone interact. energy: -0.097
local terms energy: -87.314670
where:
bonds (distance) C4'-P energy: -18.611
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -20.591
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -23.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -283.858207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.858207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.858207 (E_RNA)
where:
Base-Base interactions energy: -196.368
where: short stacking energy: -70.234
Base-Backbone interact. energy: -0.190
local terms energy: -87.300051
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -22.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -264.979548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.979548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.979548 (E_RNA)
where:
Base-Base interactions energy: -176.976
where: short stacking energy: -73.866
Base-Backbone interact. energy: -0.057
local terms energy: -87.947000
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -279.061685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.061685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.061685 (E_RNA)
where:
Base-Base interactions energy: -185.678
where: short stacking energy: -84.307
Base-Backbone interact. energy: -0.154
local terms energy: -93.229590
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -27.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -211.409548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.409548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.409548 (E_RNA)
where:
Base-Base interactions energy: -134.504
where: short stacking energy: -60.671
Base-Backbone interact. energy: -0.246
local terms energy: -76.659450
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -19.826
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -14.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -108.275976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.275976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.275976 (E_RNA)
where:
Base-Base interactions energy: -48.318
where: short stacking energy: -41.269
Base-Backbone interact. energy: -0.280
local terms energy: -59.677240
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: 1.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -96.397766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.397766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.397766 (E_RNA)
where:
Base-Base interactions energy: -29.839
where: short stacking energy: -25.899
Base-Backbone interact. energy: -0.796
local terms energy: -65.762656
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -19.673
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: 0.083
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: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -91.330126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.330126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.330126 (E_RNA)
where:
Base-Base interactions energy: -37.664
where: short stacking energy: -33.720
Base-Backbone interact. energy: -0.272
local terms energy: -53.394165
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: 0.794
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -92.578240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.578240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.578240 (E_RNA)
where:
Base-Base interactions energy: -42.920
where: short stacking energy: -35.737
Base-Backbone interact. energy: -0.123
local terms energy: -49.535025
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: -6.665
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: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -295.899467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.899467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.899467 (E_RNA)
where:
Base-Base interactions energy: -197.400
where: short stacking energy: -87.678
Base-Backbone interact. energy: -0.015
local terms energy: -98.484422
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -18.096
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -26.062
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: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -283.142473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.142473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.142473 (E_RNA)
where:
Base-Base interactions energy: -194.142
where: short stacking energy: -74.712
Base-Backbone interact. energy: -0.189
local terms energy: -88.812358
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -22.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -274.824419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.824419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.824419 (E_RNA)
where:
Base-Base interactions energy: -184.627
where: short stacking energy: -73.110
Base-Backbone interact. energy: -0.002
local terms energy: -90.195555
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -25.542
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: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -266.908496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.908496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.908496 (E_RNA)
where:
Base-Base interactions energy: -171.723
where: short stacking energy: -75.721
Base-Backbone interact. energy: -0.839
local terms energy: -94.346166
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -26.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -264.134548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.134548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.134548 (E_RNA)
where:
Base-Base interactions energy: -172.575
where: short stacking energy: -71.265
Base-Backbone interact. energy: -0.009
local terms energy: -91.549902
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -22.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -214.220764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.220764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.220764 (E_RNA)
where:
Base-Base interactions energy: -135.539
where: short stacking energy: -58.644
Base-Backbone interact. energy: -0.005
local terms energy: -78.677433
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -19.899
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -109.155169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.155169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.155169 (E_RNA)
where:
Base-Base interactions energy: -56.969
where: short stacking energy: -39.334
Base-Backbone interact. energy: -0.322
local terms energy: -51.863865
where:
bonds (distance) C4'-P energy: -8.487
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -12.846
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: 8, replica: 2
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -105.533652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.533652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.533652 (E_RNA)
where:
Base-Base interactions energy: -37.537
where: short stacking energy: -34.916
Base-Backbone interact. energy: -0.131
local terms energy: -67.865578
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -11.426
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: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -91.248513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.248513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.248513 (E_RNA)
where:
Base-Base interactions energy: -27.075
where: short stacking energy: -27.075
Base-Backbone interact. energy: -0.309
local terms energy: -63.864654
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -0.028
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: 239
Temperature: 1.350000
Total energy: -89.255049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.255049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.255049 (E_RNA)
where:
Base-Base interactions energy: -30.477
where: short stacking energy: -21.999
Base-Backbone interact. energy: -0.489
local terms energy: -58.289153
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -289.312318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.312318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.312318 (E_RNA)
where:
Base-Base interactions energy: -200.254
where: short stacking energy: -75.267
Base-Backbone interact. energy: 0.037
local terms energy: -89.095328
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -20.069
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -23.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -286.363460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.363460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.363460 (E_RNA)
where:
Base-Base interactions energy: -196.178
where: short stacking energy: -82.707
Base-Backbone interact. energy: -0.037
local terms energy: -90.148730
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -23.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -291.374134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.374134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.374134 (E_RNA)
where:
Base-Base interactions energy: -200.814
where: short stacking energy: -87.261
Base-Backbone interact. energy: -0.101
local terms energy: -90.458564
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -25.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -267.520596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.520596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.520596 (E_RNA)
where:
Base-Base interactions energy: -186.161
where: short stacking energy: -69.583
Base-Backbone interact. energy: -0.062
local terms energy: -81.298006
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -258.758641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.758641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.758641 (E_RNA)
where:
Base-Base interactions energy: -181.610
where: short stacking energy: -71.806
Base-Backbone interact. energy: -0.443
local terms energy: -76.705810
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -18.448
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: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -217.684713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.684713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.684713 (E_RNA)
where:
Base-Base interactions energy: -137.466
where: short stacking energy: -64.926
Base-Backbone interact. energy: -0.029
local terms energy: -80.190032
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -15.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -103.014626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.014626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.014626 (E_RNA)
where:
Base-Base interactions energy: -47.850
where: short stacking energy: -31.148
Base-Backbone interact. energy: 0.468
local terms energy: -55.631941
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -17.705
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -102.109416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.109416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.109416 (E_RNA)
where:
Base-Base interactions energy: -51.302
where: short stacking energy: -28.009
Base-Backbone interact. energy: -1.110
local terms energy: -49.696979
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -2.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -109.121405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.121405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.121405 (E_RNA)
where:
Base-Base interactions energy: -46.078
where: short stacking energy: -23.686
Base-Backbone interact. energy: -0.319
local terms energy: -62.724376
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -98.516344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.516344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.516344 (E_RNA)
where:
Base-Base interactions energy: -26.890
where: short stacking energy: -26.890
Base-Backbone interact. energy: -0.115
local terms energy: -71.511428
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -5.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -291.991700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.991700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.991700 (E_RNA)
where:
Base-Base interactions energy: -197.080
where: short stacking energy: -74.158
Base-Backbone interact. energy: 0.119
local terms energy: -95.030720
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -12.385
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: 2, replica: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -281.790728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.790728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.790728 (E_RNA)
where:
Base-Base interactions energy: -188.869
where: short stacking energy: -82.325
Base-Backbone interact. energy: -0.018
local terms energy: -92.904450
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -21.969
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: 3
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -290.616651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.616651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.616651 (E_RNA)
where:
Base-Base interactions energy: -198.934
where: short stacking energy: -83.441
Base-Backbone interact. energy: -1.197
local terms energy: -90.485704
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -25.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -269.191210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.191210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.191210 (E_RNA)
where:
Base-Base interactions energy: -174.658
where: short stacking energy: -76.934
Base-Backbone interact. energy: -0.007
local terms energy: -94.526076
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -27.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -272.386012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.386012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.386012 (E_RNA)
where:
Base-Base interactions energy: -188.115
where: short stacking energy: -82.792
Base-Backbone interact. energy: -0.722
local terms energy: -83.548797
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -12.090
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: 8
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -213.563278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.563278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.563278 (E_RNA)
where:
Base-Base interactions energy: -136.659
where: short stacking energy: -59.808
Base-Backbone interact. energy: -0.299
local terms energy: -76.605475
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -112.663493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.663493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.663493 (E_RNA)
where:
Base-Base interactions energy: -55.422
where: short stacking energy: -38.354
Base-Backbone interact. energy: -0.824
local terms energy: -56.417508
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -97.009077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.009077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.009077 (E_RNA)
where:
Base-Base interactions energy: -40.290
where: short stacking energy: -27.557
Base-Backbone interact. energy: -0.423
local terms energy: -56.295486
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: 0.054
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: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -114.404973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.404973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.404973 (E_RNA)
where:
Base-Base interactions energy: -46.559
where: short stacking energy: -36.402
Base-Backbone interact. energy: -0.091
local terms energy: -67.754721
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -6.493
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: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -105.877060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.877060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.877060 (E_RNA)
where:
Base-Base interactions energy: -40.260
where: short stacking energy: -40.260
Base-Backbone interact. energy: -0.008
local terms energy: -65.608344
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -9.078
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -14.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -290.867833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.867833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.867833 (E_RNA)
where:
Base-Base interactions energy: -193.991
where: short stacking energy: -89.051
Base-Backbone interact. energy: -0.011
local terms energy: -96.865838
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -24.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -280.953533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.953533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.953533 (E_RNA)
where:
Base-Base interactions energy: -193.775
where: short stacking energy: -76.150
Base-Backbone interact. energy: -0.171
local terms energy: -87.007481
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -19.177
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -22.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -281.917811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.917811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.917811 (E_RNA)
where:
Base-Base interactions energy: -187.274
where: short stacking energy: -82.967
Base-Backbone interact. energy: -1.126
local terms energy: -93.518066
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -18.596
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -24.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -269.205802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.205802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.205802 (E_RNA)
where:
Base-Base interactions energy: -187.335
where: short stacking energy: -82.749
Base-Backbone interact. energy: -0.002
local terms energy: -81.868251
where:
bonds (distance) C4'-P energy: -10.582
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -281.438671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.438671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.438671 (E_RNA)
where:
Base-Base interactions energy: -190.624
where: short stacking energy: -83.716
Base-Backbone interact. energy: -0.061
local terms energy: -90.753833
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -20.468
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -25.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -217.162516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.162516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.162516 (E_RNA)
where:
Base-Base interactions energy: -149.143
where: short stacking energy: -65.083
Base-Backbone interact. energy: -0.166
local terms energy: -67.853657
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -14.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -109.619250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.619250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.619250 (E_RNA)
where:
Base-Base interactions energy: -58.433
where: short stacking energy: -28.547
Base-Backbone interact. energy: 2.000
local terms energy: -53.186064
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: 3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -108.335366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.335366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.335366 (E_RNA)
where:
Base-Base interactions energy: -45.798
where: short stacking energy: -26.669
Base-Backbone interact. energy: -0.018
local terms energy: -62.519926
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -99.555562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.555562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.555562 (E_RNA)
where:
Base-Base interactions energy: -36.901
where: short stacking energy: -31.375
Base-Backbone interact. energy: 0.481
local terms energy: -63.136037
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -6.782
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: 242
Temperature: 1.350000
Total energy: -93.451583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.451583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.451583 (E_RNA)
where:
Base-Base interactions energy: -33.408
where: short stacking energy: -32.049
Base-Backbone interact. energy: -0.467
local terms energy: -59.577001
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -7.067
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: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -292.969516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.969516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.969516 (E_RNA)
where:
Base-Base interactions energy: -199.014
where: short stacking energy: -89.887
Base-Backbone interact. energy: -0.117
local terms energy: -93.837742
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -24.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -282.513001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.513001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.513001 (E_RNA)
where:
Base-Base interactions energy: -193.222
where: short stacking energy: -86.903
Base-Backbone interact. energy: -1.647
local terms energy: -87.643742
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -23.710
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: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -275.144852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.144852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.144852 (E_RNA)
where:
Base-Base interactions energy: -187.860
where: short stacking energy: -72.404
Base-Backbone interact. energy: -0.165
local terms energy: -87.119602
where:
bonds (distance) C4'-P energy: -19.044
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -271.312981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.312981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.312981 (E_RNA)
where:
Base-Base interactions energy: -188.146
where: short stacking energy: -76.492
Base-Backbone interact. energy: -0.021
local terms energy: -83.146262
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -21.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -266.100219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.100219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.100219 (E_RNA)
where:
Base-Base interactions energy: -181.481
where: short stacking energy: -68.373
Base-Backbone interact. energy: -0.123
local terms energy: -84.496531
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -24.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -213.405968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.405968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.405968 (E_RNA)
where:
Base-Base interactions energy: -136.809
where: short stacking energy: -59.709
Base-Backbone interact. energy: -0.344
local terms energy: -76.253005
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -20.539
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: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -90.867483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.867483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.867483 (E_RNA)
where:
Base-Base interactions energy: -32.381
where: short stacking energy: -22.882
Base-Backbone interact. energy: 2.342
local terms energy: -60.828681
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -99.233525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.233525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.233525 (E_RNA)
where:
Base-Base interactions energy: -38.556
where: short stacking energy: -38.556
Base-Backbone interact. energy: -0.070
local terms energy: -60.607928
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -6.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -91.983013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.983013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.983013 (E_RNA)
where:
Base-Base interactions energy: -33.963
where: short stacking energy: -28.822
Base-Backbone interact. energy: 0.778
local terms energy: -58.797283
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: 3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -101.266410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.266410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.266410 (E_RNA)
where:
Base-Base interactions energy: -46.238
where: short stacking energy: -36.275
Base-Backbone interact. energy: -0.460
local terms energy: -54.568976
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -8.382
flat angles P-C4'-P energy: -6.590
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: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -297.597290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.597290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.597290 (E_RNA)
where:
Base-Base interactions energy: -203.774
where: short stacking energy: -79.696
Base-Backbone interact. energy: -0.009
local terms energy: -93.814153
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -20.427
flat angles P-C4'-P energy: -10.021
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: 2, replica: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -285.085195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.085195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.085195 (E_RNA)
where:
Base-Base interactions energy: -183.993
where: short stacking energy: -85.659
Base-Backbone interact. energy: -0.006
local terms energy: -101.086695
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -22.238
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -27.247
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: 5
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -284.360869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.360869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.360869 (E_RNA)
where:
Base-Base interactions energy: -195.130
where: short stacking energy: -91.894
Base-Backbone interact. energy: -0.005
local terms energy: -89.226168
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -25.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -279.432232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.432232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.432232 (E_RNA)
where:
Base-Base interactions energy: -193.732
where: short stacking energy: -74.876
Base-Backbone interact. energy: -0.589
local terms energy: -85.111419
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -5.427
tors. eta vs tors. theta energy: -26.395
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: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -265.775305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.775305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.775305 (E_RNA)
where:
Base-Base interactions energy: -181.742
where: short stacking energy: -91.438
Base-Backbone interact. energy: -0.057
local terms energy: -83.976200
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -27.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -215.455873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.455873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.455873 (E_RNA)
where:
Base-Base interactions energy: -143.185
where: short stacking energy: -59.598
Base-Backbone interact. energy: -0.005
local terms energy: -72.266671
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -11.391
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: 7, replica: 2
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -111.513207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.513207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.513207 (E_RNA)
where:
Base-Base interactions energy: -40.515
where: short stacking energy: -39.324
Base-Backbone interact. energy: -0.046
local terms energy: -70.952209
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -17.554
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: 8, replica: 9
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -102.820711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.820711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.820711 (E_RNA)
where:
Base-Base interactions energy: -40.396
where: short stacking energy: -24.031
Base-Backbone interact. energy: -0.019
local terms energy: -62.405593
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -11.894
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: 9, replica: 1
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -101.440016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.440016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.440016 (E_RNA)
where:
Base-Base interactions energy: -42.743
where: short stacking energy: -30.368
Base-Backbone interact. energy: -0.098
local terms energy: -58.599794
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -7.548
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -4.145
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: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -84.300018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.300018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.300018 (E_RNA)
where:
Base-Base interactions energy: -27.463
where: short stacking energy: -23.475
Base-Backbone interact. energy: 0.728
local terms energy: -57.564887
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -299.085910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.085910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.085910 (E_RNA)
where:
Base-Base interactions energy: -199.290
where: short stacking energy: -87.992
Base-Backbone interact. energy: -0.066
local terms energy: -99.729261
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -27.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -278.958329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.958329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.958329 (E_RNA)
where:
Base-Base interactions energy: -194.105
where: short stacking energy: -86.202
Base-Backbone interact. energy: -0.047
local terms energy: -84.806279
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -23.225
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: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -281.529918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.529918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.529918 (E_RNA)
where:
Base-Base interactions energy: -190.520
where: short stacking energy: -73.642
Base-Backbone interact. energy: 0.046
local terms energy: -91.055409
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -19.719
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -24.920
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: 245
Temperature: 1.050000
Total energy: -275.355953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.355953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.355953 (E_RNA)
where:
Base-Base interactions energy: -188.359
where: short stacking energy: -80.380
Base-Backbone interact. energy: -0.439
local terms energy: -86.558202
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -23.479
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: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -269.517048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.517048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.517048 (E_RNA)
where:
Base-Base interactions energy: -177.276
where: short stacking energy: -73.161
Base-Backbone interact. energy: -0.099
local terms energy: -92.141726
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -25.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -219.833814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.833814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.833814 (E_RNA)
where:
Base-Base interactions energy: -129.549
where: short stacking energy: -56.513
Base-Backbone interact. energy: -0.217
local terms energy: -90.067543
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -18.919
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -110.243751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.243751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.243751 (E_RNA)
where:
Base-Base interactions energy: -43.610
where: short stacking energy: -40.849
Base-Backbone interact. energy: 0.051
local terms energy: -66.684468
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -7.485
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: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -100.745980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.745980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.745980 (E_RNA)
where:
Base-Base interactions energy: -39.333
where: short stacking energy: -33.321
Base-Backbone interact. energy: -0.259
local terms energy: -61.153189
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -1.191
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: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -98.907567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.907567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.907567 (E_RNA)
where:
Base-Base interactions energy: -29.708
where: short stacking energy: -28.680
Base-Backbone interact. energy: -0.367
local terms energy: -68.832231
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -93.971490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.971490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.971490 (E_RNA)
where:
Base-Base interactions energy: -35.719
where: short stacking energy: -28.618
Base-Backbone interact. energy: 0.211
local terms energy: -58.463427
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -3.278
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: 1, replica: 7
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -296.436699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.436699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.436699 (E_RNA)
where:
Base-Base interactions energy: -208.095
where: short stacking energy: -91.708
Base-Backbone interact. energy: -0.167
local terms energy: -88.174271
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -25.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -297.713571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.713571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.713571 (E_RNA)
where:
Base-Base interactions energy: -199.793
where: short stacking energy: -93.354
Base-Backbone interact. energy: -0.110
local terms energy: -97.810526
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -26.705
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: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -277.710905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.710905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.710905 (E_RNA)
where:
Base-Base interactions energy: -188.070
where: short stacking energy: -81.159
Base-Backbone interact. energy: -0.073
local terms energy: -89.567551
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -23.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -278.902660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.902660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.902660 (E_RNA)
where:
Base-Base interactions energy: -195.197
where: short stacking energy: -80.424
Base-Backbone interact. energy: 0.845
local terms energy: -84.550526
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -22.142
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: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -268.133495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.133495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.133495 (E_RNA)
where:
Base-Base interactions energy: -178.731
where: short stacking energy: -69.435
Base-Backbone interact. energy: -0.806
local terms energy: -88.596363
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -22.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -205.545931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.545931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.545931 (E_RNA)
where:
Base-Base interactions energy: -129.209
where: short stacking energy: -57.918
Base-Backbone interact. energy: -0.738
local terms energy: -75.598809
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -120.580811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.580811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.580811 (E_RNA)
where:
Base-Base interactions energy: -48.388
where: short stacking energy: -48.388
Base-Backbone interact. energy: -0.121
local terms energy: -72.071326
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -9.534
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: 8, replica: 2
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -97.964089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.964089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.964089 (E_RNA)
where:
Base-Base interactions energy: -38.233
where: short stacking energy: -31.407
Base-Backbone interact. energy: -0.065
local terms energy: -59.665883
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -104.142870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.142870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.142870 (E_RNA)
where:
Base-Base interactions energy: -37.282
where: short stacking energy: -32.200
Base-Backbone interact. energy: -0.102
local terms energy: -66.759150
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -91.102287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.102287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.102287 (E_RNA)
where:
Base-Base interactions energy: -29.811
where: short stacking energy: -27.829
Base-Backbone interact. energy: -0.142
local terms energy: -61.149807
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -8.445
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: 7
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -303.244926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.244926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.244926 (E_RNA)
where:
Base-Base interactions energy: -211.617
where: short stacking energy: -88.195
Base-Backbone interact. energy: -0.076
local terms energy: -91.551455
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -25.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -285.099350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.099350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.099350 (E_RNA)
where:
Base-Base interactions energy: -197.026
where: short stacking energy: -81.237
Base-Backbone interact. energy: -0.061
local terms energy: -88.012075
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -10.027
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -21.058
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: 10
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -280.337558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.337558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.337558 (E_RNA)
where:
Base-Base interactions energy: -190.629
where: short stacking energy: -81.097
Base-Backbone interact. energy: -0.137
local terms energy: -89.572203
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -21.398
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -24.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -275.374611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.374611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.374611 (E_RNA)
where:
Base-Base interactions energy: -175.177
where: short stacking energy: -79.707
Base-Backbone interact. energy: -1.514
local terms energy: -98.684110
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -20.470
flat angles P-C4'-P energy: -16.982
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: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -272.428144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.428144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.428144 (E_RNA)
where:
Base-Base interactions energy: -184.912
where: short stacking energy: -64.406
Base-Backbone interact. energy: -0.205
local terms energy: -87.311625
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -21.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -226.215862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.215862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.215862 (E_RNA)
where:
Base-Base interactions energy: -144.286
where: short stacking energy: -67.776
Base-Backbone interact. energy: -0.647
local terms energy: -81.283500
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -16.398
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: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -110.586053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.586053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.586053 (E_RNA)
where:
Base-Base interactions energy: -48.814
where: short stacking energy: -27.486
Base-Backbone interact. energy: -0.260
local terms energy: -61.511920
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -10.164
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: 8, replica: 2
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -101.571650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.571650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.571650 (E_RNA)
where:
Base-Base interactions energy: -40.803
where: short stacking energy: -35.737
Base-Backbone interact. energy: 0.350
local terms energy: -61.118134
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -93.328583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.328583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.328583 (E_RNA)
where:
Base-Base interactions energy: -38.561
where: short stacking energy: -31.353
Base-Backbone interact. energy: -0.002
local terms energy: -54.765725
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -7.499
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -1.846
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: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -90.798135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.798135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.798135 (E_RNA)
where:
Base-Base interactions energy: -30.482
where: short stacking energy: -20.139
Base-Backbone interact. energy: -0.293
local terms energy: -60.023158
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -296.931166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.931166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.931166 (E_RNA)
where:
Base-Base interactions energy: -205.897
where: short stacking energy: -91.959
Base-Backbone interact. energy: -0.005
local terms energy: -91.029190
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -29.608
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: 2, replica: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -296.500495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.500495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.500495 (E_RNA)
where:
Base-Base interactions energy: -201.418
where: short stacking energy: -83.576
Base-Backbone interact. energy: -0.097
local terms energy: -94.985530
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -27.020
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: 10
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -274.871076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.871076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.871076 (E_RNA)
where:
Base-Base interactions energy: -177.327
where: short stacking energy: -82.060
Base-Backbone interact. energy: -0.450
local terms energy: -97.094216
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -26.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -278.383949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.383949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.383949 (E_RNA)
where:
Base-Base interactions energy: -191.345
where: short stacking energy: -86.900
Base-Backbone interact. energy: 0.234
local terms energy: -87.272966
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -24.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -271.390280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.390280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.390280 (E_RNA)
where:
Base-Base interactions energy: -184.043
where: short stacking energy: -70.342
Base-Backbone interact. energy: 0.624
local terms energy: -87.971113
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -22.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -222.312355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.312355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.312355 (E_RNA)
where:
Base-Base interactions energy: -145.738
where: short stacking energy: -67.208
Base-Backbone interact. energy: -0.749
local terms energy: -75.825783
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -18.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -111.432983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.432983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.432983 (E_RNA)
where:
Base-Base interactions energy: -53.852
where: short stacking energy: -31.197
Base-Backbone interact. energy: 0.017
local terms energy: -57.597168
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -92.450971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.450971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.450971 (E_RNA)
where:
Base-Base interactions energy: -35.202
where: short stacking energy: -34.879
Base-Backbone interact. energy: -0.331
local terms energy: -56.917613
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -86.445751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.445751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.445751 (E_RNA)
where:
Base-Base interactions energy: -34.674
where: short stacking energy: -13.735
Base-Backbone interact. energy: -0.083
local terms energy: -51.689266
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -8.314
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -0.351
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: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -81.893390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.893390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.893390 (E_RNA)
where:
Base-Base interactions energy: -34.427
where: short stacking energy: -30.349
Base-Backbone interact. energy: 0.443
local terms energy: -47.908885
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -21.684
flat angles C4'-P-C4' energy: -5.139
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: 0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -285.061065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.061065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.061065 (E_RNA)
where:
Base-Base interactions energy: -187.766
where: short stacking energy: -86.929
Base-Backbone interact. energy: -0.297
local terms energy: -96.998254
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -27.914
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: 7
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -296.045643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.045643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.045643 (E_RNA)
where:
Base-Base interactions energy: -208.767
where: short stacking energy: -80.083
Base-Backbone interact. energy: -0.100
local terms energy: -87.178261
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -27.469
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: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -282.784892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.784892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.784892 (E_RNA)
where:
Base-Base interactions energy: -188.075
where: short stacking energy: -88.215
Base-Backbone interact. energy: -0.005
local terms energy: -94.704332
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -20.783
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -29.903
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: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -271.091533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.091533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.091533 (E_RNA)
where:
Base-Base interactions energy: -191.070
where: short stacking energy: -74.489
Base-Backbone interact. energy: -0.105
local terms energy: -79.916432
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -12.670
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: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -264.486865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.486865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.486865 (E_RNA)
where:
Base-Base interactions energy: -180.183
where: short stacking energy: -74.915
Base-Backbone interact. energy: -0.079
local terms energy: -84.224392
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -13.226
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: 6, replica: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -217.737807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.737807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.737807 (E_RNA)
where:
Base-Base interactions energy: -149.405
where: short stacking energy: -48.252
Base-Backbone interact. energy: -0.817
local terms energy: -67.515974
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -3.631
tors. eta vs tors. theta energy: -15.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -123.920769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.920769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.920769 (E_RNA)
where:
Base-Base interactions energy: -75.944
where: short stacking energy: -28.746
Base-Backbone interact. energy: -0.038
local terms energy: -47.938540
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -9.552
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: 1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -91.427651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.427651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.427651 (E_RNA)
where:
Base-Base interactions energy: -35.612
where: short stacking energy: -35.612
Base-Backbone interact. energy: -0.080
local terms energy: -55.736096
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -97.009840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.009840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.009840 (E_RNA)
where:
Base-Base interactions energy: -31.380
where: short stacking energy: -31.380
Base-Backbone interact. energy: -0.287
local terms energy: -65.343130
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -101.444779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.444779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.444779 (E_RNA)
where:
Base-Base interactions energy: -51.383
where: short stacking energy: -37.168
Base-Backbone interact. energy: -0.087
local terms energy: -49.974493
where:
bonds (distance) C4'-P energy: -8.814
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -298.732801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.732801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.732801 (E_RNA)
where:
Base-Base interactions energy: -206.150
where: short stacking energy: -91.890
Base-Backbone interact. energy: -0.044
local terms energy: -92.538892
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -27.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -284.661054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.661054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.661054 (E_RNA)
where:
Base-Base interactions energy: -192.248
where: short stacking energy: -86.879
Base-Backbone interact. energy: -0.132
local terms energy: -92.281824
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -22.181
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -22.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -282.810344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.810344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.810344 (E_RNA)
where:
Base-Base interactions energy: -181.348
where: short stacking energy: -82.370
Base-Backbone interact. energy: -0.150
local terms energy: -101.311826
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -21.052
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -25.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -271.193627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.193627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.193627 (E_RNA)
where:
Base-Base interactions energy: -175.654
where: short stacking energy: -75.863
Base-Backbone interact. energy: -0.043
local terms energy: -95.496689
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -24.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -259.530876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.530876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.530876 (E_RNA)
where:
Base-Base interactions energy: -176.967
where: short stacking energy: -79.921
Base-Backbone interact. energy: -0.115
local terms energy: -82.449220
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -26.344
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: 250
Temperature: 1.150000
Total energy: -217.383435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.383435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.383435 (E_RNA)
where:
Base-Base interactions energy: -140.192
where: short stacking energy: -57.607
Base-Backbone interact. energy: -0.177
local terms energy: -77.014907
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -14.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -104.771042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.771042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.771042 (E_RNA)
where:
Base-Base interactions energy: -44.024
where: short stacking energy: -39.271
Base-Backbone interact. energy: -0.358
local terms energy: -60.388684
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -4.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -101.530267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.530267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.530267 (E_RNA)
where:
Base-Base interactions energy: -30.560
where: short stacking energy: -28.354
Base-Backbone interact. energy: -0.191
local terms energy: -70.779244
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -10.821
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: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -94.451434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.451434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.451434 (E_RNA)
where:
Base-Base interactions energy: -33.312
where: short stacking energy: -24.645
Base-Backbone interact. energy: -0.437
local terms energy: -60.702787
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: 1.303
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: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -90.975265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.975265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.975265 (E_RNA)
where:
Base-Base interactions energy: -21.731
where: short stacking energy: -20.854
Base-Backbone interact. energy: -0.511
local terms energy: -68.733110
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -4.531
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: 1, replica: 7
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -299.022792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.022792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.022792 (E_RNA)
where:
Base-Base interactions energy: -206.002
where: short stacking energy: -92.165
Base-Backbone interact. energy: -0.094
local terms energy: -92.926539
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -24.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -290.196768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.196768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.196768 (E_RNA)
where:
Base-Base interactions energy: -196.170
where: short stacking energy: -80.210
Base-Backbone interact. energy: -0.146
local terms energy: -93.880670
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -24.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -279.845360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.845360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.845360 (E_RNA)
where:
Base-Base interactions energy: -189.942
where: short stacking energy: -82.196
Base-Backbone interact. energy: 0.039
local terms energy: -89.941547
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -24.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -270.438229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.438229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.438229 (E_RNA)
where:
Base-Base interactions energy: -174.389
where: short stacking energy: -79.866
Base-Backbone interact. energy: -0.063
local terms energy: -95.986223
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -21.465
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -23.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -271.229962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.229962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.229962 (E_RNA)
where:
Base-Base interactions energy: -178.725
where: short stacking energy: -75.171
Base-Backbone interact. energy: -0.554
local terms energy: -91.951091
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -26.101
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: 6, replica: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -248.589306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.589306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.589306 (E_RNA)
where:
Base-Base interactions energy: -171.869
where: short stacking energy: -79.826
Base-Backbone interact. energy: 0.599
local terms energy: -77.319008
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -22.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -102.422847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.422847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.422847 (E_RNA)
where:
Base-Base interactions energy: -37.264
where: short stacking energy: -36.104
Base-Backbone interact. energy: 0.827
local terms energy: -65.986042
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -9.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -97.127321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.127321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.127321 (E_RNA)
where:
Base-Base interactions energy: -36.603
where: short stacking energy: -27.055
Base-Backbone interact. energy: -0.067
local terms energy: -60.457165
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: 0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -106.707116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.707116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.707116 (E_RNA)
where:
Base-Base interactions energy: -44.866
where: short stacking energy: -40.055
Base-Backbone interact. energy: 1.026
local terms energy: -62.866625
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -7.011
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: 10, replica: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -92.348584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.348584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.348584 (E_RNA)
where:
Base-Base interactions energy: -34.525
where: short stacking energy: -28.650
Base-Backbone interact. energy: 0.419
local terms energy: -58.242245
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -3.170
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: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -292.340485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.340485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.340485 (E_RNA)
where:
Base-Base interactions energy: -199.327
where: short stacking energy: -71.137
Base-Backbone interact. energy: -0.395
local terms energy: -92.618720
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -25.863
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: 2, replica: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -286.925412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.925412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.925412 (E_RNA)
where:
Base-Base interactions energy: -192.424
where: short stacking energy: -80.709
Base-Backbone interact. energy: -0.108
local terms energy: -94.393580
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -15.715
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: 3, replica: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -283.605005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.605005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.605005 (E_RNA)
where:
Base-Base interactions energy: -184.541
where: short stacking energy: -81.421
Base-Backbone interact. energy: -0.165
local terms energy: -98.899623
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -25.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -285.774219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.774219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.774219 (E_RNA)
where:
Base-Base interactions energy: -192.755
where: short stacking energy: -82.085
Base-Backbone interact. energy: -0.047
local terms energy: -92.972250
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -23.730
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: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -261.287320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.287320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.287320 (E_RNA)
where:
Base-Base interactions energy: -176.411
where: short stacking energy: -74.853
Base-Backbone interact. energy: -0.012
local terms energy: -84.863991
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -21.646
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: 6, replica: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -236.346211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.346211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.346211 (E_RNA)
where:
Base-Base interactions energy: -150.298
where: short stacking energy: -67.755
Base-Backbone interact. energy: -0.511
local terms energy: -85.537152
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -18.785
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -110.137612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.137612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.137612 (E_RNA)
where:
Base-Base interactions energy: -40.513
where: short stacking energy: -38.255
Base-Backbone interact. energy: -0.015
local terms energy: -69.608687
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -6.425
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: 2
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -101.050016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.050016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.050016 (E_RNA)
where:
Base-Base interactions energy: -48.653
where: short stacking energy: -29.135
Base-Backbone interact. energy: 1.062
local terms energy: -53.458715
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -83.282593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.282593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.282593 (E_RNA)
where:
Base-Base interactions energy: -25.247
where: short stacking energy: -25.247
Base-Backbone interact. energy: -0.125
local terms energy: -57.911247
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -5.636
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: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -95.719679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.719679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.719679 (E_RNA)
where:
Base-Base interactions energy: -31.768
where: short stacking energy: -25.472
Base-Backbone interact. energy: -0.342
local terms energy: -63.609512
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -9.471
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: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -286.134700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.134700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.134700 (E_RNA)
where:
Base-Base interactions energy: -190.046
where: short stacking energy: -72.090
Base-Backbone interact. energy: -1.187
local terms energy: -94.902295
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -25.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -286.740725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.740725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.740725 (E_RNA)
where:
Base-Base interactions energy: -194.763
where: short stacking energy: -96.931
Base-Backbone interact. energy: -0.013
local terms energy: -91.965384
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -28.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -278.266664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.266664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.266664 (E_RNA)
where:
Base-Base interactions energy: -180.892
where: short stacking energy: -65.511
Base-Backbone interact. energy: -0.023
local terms energy: -97.352491
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -21.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -283.873229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.873229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.873229 (E_RNA)
where:
Base-Base interactions energy: -195.662
where: short stacking energy: -75.807
Base-Backbone interact. energy: -0.005
local terms energy: -88.206782
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -16.922
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -24.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -259.678306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.678306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.678306 (E_RNA)
where:
Base-Base interactions energy: -181.001
where: short stacking energy: -74.550
Base-Backbone interact. energy: -0.055
local terms energy: -78.622722
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -13.882
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: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -212.459081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.459081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.459081 (E_RNA)
where:
Base-Base interactions energy: -133.345
where: short stacking energy: -65.610
Base-Backbone interact. energy: -0.030
local terms energy: -79.083678
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -18.171
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: 7, replica: 1
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -102.958592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.958592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.958592 (E_RNA)
where:
Base-Base interactions energy: -39.743
where: short stacking energy: -38.788
Base-Backbone interact. energy: -0.090
local terms energy: -63.125267
where:
bonds (distance) C4'-P energy: -8.488
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -10.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -95.016603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.016603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.016603 (E_RNA)
where:
Base-Base interactions energy: -42.633
where: short stacking energy: -19.209
Base-Backbone interact. energy: -0.788
local terms energy: -51.595406
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -10.537
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: 9, replica: 2
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -92.269001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.269001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.269001 (E_RNA)
where:
Base-Base interactions energy: -39.958
where: short stacking energy: -27.982
Base-Backbone interact. energy: -1.098
local terms energy: -51.212662
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -8.955
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -87.855547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.855547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.855547 (E_RNA)
where:
Base-Base interactions energy: -23.778
where: short stacking energy: -23.811
Base-Backbone interact. energy: -0.066
local terms energy: -64.011496
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -2.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -286.678541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.678541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.678541 (E_RNA)
where:
Base-Base interactions energy: -190.122
where: short stacking energy: -88.342
Base-Backbone interact. energy: -0.101
local terms energy: -96.455431
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -22.502
flat angles P-C4'-P energy: -15.075
tors. eta vs tors. theta energy: -26.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -287.072983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.072983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.072983 (E_RNA)
where:
Base-Base interactions energy: -204.853
where: short stacking energy: -80.582
Base-Backbone interact. energy: 0.355
local terms energy: -82.575426
where:
bonds (distance) C4'-P energy: -18.105
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -21.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -276.852134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.852134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.852134 (E_RNA)
where:
Base-Base interactions energy: -184.773
where: short stacking energy: -82.211
Base-Backbone interact. energy: -0.093
local terms energy: -91.985246
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -20.923
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: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -283.522399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.522399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.522399 (E_RNA)
where:
Base-Base interactions energy: -197.707
where: short stacking energy: -81.176
Base-Backbone interact. energy: -0.106
local terms energy: -85.709129
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -276.468864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.468864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.468864 (E_RNA)
where:
Base-Base interactions energy: -185.830
where: short stacking energy: -83.933
Base-Backbone interact. energy: -0.569
local terms energy: -90.070601
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -24.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -214.674555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.674555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.674555 (E_RNA)
where:
Base-Base interactions energy: -139.333
where: short stacking energy: -63.205
Base-Backbone interact. energy: -0.019
local terms energy: -75.322649
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -9.985
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: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -106.474626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.474626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.474626 (E_RNA)
where:
Base-Base interactions energy: -49.290
where: short stacking energy: -38.711
Base-Backbone interact. energy: -0.015
local terms energy: -57.169933
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -6.698
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -87.124239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.124239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.124239 (E_RNA)
where:
Base-Base interactions energy: -37.216
where: short stacking energy: -24.809
Base-Backbone interact. energy: 0.450
local terms energy: -50.358582
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -19.218
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: 5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -96.827047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.827047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.827047 (E_RNA)
where:
Base-Base interactions energy: -36.605
where: short stacking energy: -31.264
Base-Backbone interact. energy: 0.141
local terms energy: -60.363270
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -8.726
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -9.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -96.089494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.089494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.089494 (E_RNA)
where:
Base-Base interactions energy: -27.631
where: short stacking energy: -27.631
Base-Backbone interact. energy: -0.269
local terms energy: -68.189949
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -6.629
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: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -290.415759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.415759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.415759 (E_RNA)
where:
Base-Base interactions energy: -191.701
where: short stacking energy: -86.478
Base-Backbone interact. energy: -0.040
local terms energy: -98.674114
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -27.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -285.275950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.275950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.275950 (E_RNA)
where:
Base-Base interactions energy: -195.062
where: short stacking energy: -79.137
Base-Backbone interact. energy: -0.880
local terms energy: -89.334626
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -20.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -277.762990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.762990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.762990 (E_RNA)
where:
Base-Base interactions energy: -197.043
where: short stacking energy: -78.617
Base-Backbone interact. energy: 0.616
local terms energy: -81.335502
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -19.536
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: 4, replica: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -272.237793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.237793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.237793 (E_RNA)
where:
Base-Base interactions energy: -184.184
where: short stacking energy: -86.249
Base-Backbone interact. energy: -0.013
local terms energy: -88.040120
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -25.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -268.392531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.392531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.392531 (E_RNA)
where:
Base-Base interactions energy: -173.301
where: short stacking energy: -82.129
Base-Backbone interact. energy: -0.987
local terms energy: -94.104992
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -23.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -226.378298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.378298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.378298 (E_RNA)
where:
Base-Base interactions energy: -151.670
where: short stacking energy: -70.457
Base-Backbone interact. energy: -0.165
local terms energy: -74.543294
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -14.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -104.270056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.270056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.270056 (E_RNA)
where:
Base-Base interactions energy: -43.863
where: short stacking energy: -37.861
Base-Backbone interact. energy: -0.193
local terms energy: -60.213842
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -2.270
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: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -98.799809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.799809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.799809 (E_RNA)
where:
Base-Base interactions energy: -36.343
where: short stacking energy: -21.883
Base-Backbone interact. energy: -1.096
local terms energy: -61.360619
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -4.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -110.722615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.722615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.722615 (E_RNA)
where:
Base-Base interactions energy: -59.239
where: short stacking energy: -36.407
Base-Backbone interact. energy: -0.311
local terms energy: -51.172072
where:
bonds (distance) C4'-P energy: -7.318
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -85.413768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.413768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.413768 (E_RNA)
where:
Base-Base interactions energy: -35.151
where: short stacking energy: -24.317
Base-Backbone interact. energy: 2.413
local terms energy: -52.675706
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: 0.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -290.907345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.907345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.907345 (E_RNA)
where:
Base-Base interactions energy: -197.991
where: short stacking energy: -83.355
Base-Backbone interact. energy: -0.147
local terms energy: -92.769032
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -21.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -283.296934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.296934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.296934 (E_RNA)
where:
Base-Base interactions energy: -194.288
where: short stacking energy: -82.980
Base-Backbone interact. energy: -0.601
local terms energy: -88.408242
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -15.334
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: 3, replica: 10
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -277.757681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.757681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.757681 (E_RNA)
where:
Base-Base interactions energy: -182.253
where: short stacking energy: -84.477
Base-Backbone interact. energy: -0.168
local terms energy: -95.336353
where:
bonds (distance) C4'-P energy: -21.532
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -27.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -282.114605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.114605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.114605 (E_RNA)
where:
Base-Base interactions energy: -195.258
where: short stacking energy: -74.580
Base-Backbone interact. energy: -0.337
local terms energy: -86.519147
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -20.022
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: 5, replica: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -268.213838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.213838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.213838 (E_RNA)
where:
Base-Base interactions energy: -171.288
where: short stacking energy: -81.088
Base-Backbone interact. energy: -0.489
local terms energy: -96.437129
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -20.479
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -27.403
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: 8
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -222.855197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.855197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.855197 (E_RNA)
where:
Base-Base interactions energy: -141.056
where: short stacking energy: -72.120
Base-Backbone interact. energy: -0.027
local terms energy: -81.772209
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -107.532602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.532602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.532602 (E_RNA)
where:
Base-Base interactions energy: -48.363
where: short stacking energy: -32.395
Base-Backbone interact. energy: -0.099
local terms energy: -59.070782
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -3.954
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: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -106.706059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.706059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.706059 (E_RNA)
where:
Base-Base interactions energy: -43.873
where: short stacking energy: -40.838
Base-Backbone interact. energy: 1.321
local terms energy: -64.153640
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -3.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -90.307372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.307372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.307372 (E_RNA)
where:
Base-Base interactions energy: -30.908
where: short stacking energy: -28.930
Base-Backbone interact. energy: -0.234
local terms energy: -59.164797
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: -5.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -85.587142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.587142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.587142 (E_RNA)
where:
Base-Base interactions energy: -33.308
where: short stacking energy: -33.308
Base-Backbone interact. energy: -0.070
local terms energy: -52.209224
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -5.718
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -296.334039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.334039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.334039 (E_RNA)
where:
Base-Base interactions energy: -203.114
where: short stacking energy: -82.087
Base-Backbone interact. energy: -0.117
local terms energy: -93.103004
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -22.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -295.165165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.165165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.165165 (E_RNA)
where:
Base-Base interactions energy: -200.414
where: short stacking energy: -81.008
Base-Backbone interact. energy: -0.053
local terms energy: -94.698400
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -16.192
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: 3, replica: 10
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -275.243249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.243249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.243249 (E_RNA)
where:
Base-Base interactions energy: -179.880
where: short stacking energy: -77.793
Base-Backbone interact. energy: -0.025
local terms energy: -95.338245
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -20.328
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -25.292
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: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -281.216196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.216196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.216196 (E_RNA)
where:
Base-Base interactions energy: -190.453
where: short stacking energy: -73.334
Base-Backbone interact. energy: -0.203
local terms energy: -90.560227
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -25.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -272.701342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.701342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.701342 (E_RNA)
where:
Base-Base interactions energy: -189.321
where: short stacking energy: -71.926
Base-Backbone interact. energy: -0.981
local terms energy: -82.399578
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -19.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -219.067447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.067447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.067447 (E_RNA)
where:
Base-Base interactions energy: -133.017
where: short stacking energy: -62.339
Base-Backbone interact. energy: -0.019
local terms energy: -86.032034
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -19.183
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -21.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -123.490324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.490324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.490324 (E_RNA)
where:
Base-Base interactions energy: -70.410
where: short stacking energy: -35.342
Base-Backbone interact. energy: -0.171
local terms energy: -52.908903
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -7.643
flat angles P-C4'-P energy: -3.540
tors. eta vs tors. theta energy: -4.033
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: 2
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -98.131663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.131663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.131663 (E_RNA)
where:
Base-Base interactions energy: -35.015
where: short stacking energy: -32.961
Base-Backbone interact. energy: -0.862
local terms energy: -62.255019
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -1.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -100.203021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.203021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.203021 (E_RNA)
where:
Base-Base interactions energy: -37.637
where: short stacking energy: -27.529
Base-Backbone interact. energy: 1.510
local terms energy: -64.075887
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -11.331
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: 10, replica: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -99.234536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.234536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.234536 (E_RNA)
where:
Base-Base interactions energy: -31.353
where: short stacking energy: -27.371
Base-Backbone interact. energy: -0.147
local terms energy: -67.734118
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -8.634
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: 258
Temperature: 0.900000
Total energy: -289.482174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.482174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.482174 (E_RNA)
where:
Base-Base interactions energy: -193.789
where: short stacking energy: -80.289
Base-Backbone interact. energy: -1.221
local terms energy: -94.472682
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -25.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -285.965376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.965376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.965376 (E_RNA)
where:
Base-Base interactions energy: -193.654
where: short stacking energy: -71.766
Base-Backbone interact. energy: -0.025
local terms energy: -92.286268
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -22.355
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: 10
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -279.862687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.862687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.862687 (E_RNA)
where:
Base-Base interactions energy: -186.415
where: short stacking energy: -82.088
Base-Backbone interact. energy: -0.002
local terms energy: -93.445109
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -26.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -283.499492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.499492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.499492 (E_RNA)
where:
Base-Base interactions energy: -187.268
where: short stacking energy: -78.131
Base-Backbone interact. energy: -0.324
local terms energy: -95.908015
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -24.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -256.121407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.121407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.121407 (E_RNA)
where:
Base-Base interactions energy: -171.078
where: short stacking energy: -61.513
Base-Backbone interact. energy: -1.694
local terms energy: -83.349793
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -193.147554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.147554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.147554 (E_RNA)
where:
Base-Base interactions energy: -124.745
where: short stacking energy: -59.108
Base-Backbone interact. energy: 1.238
local terms energy: -69.640184
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -14.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -122.082350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.082350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.082350 (E_RNA)
where:
Base-Base interactions energy: -60.277
where: short stacking energy: -27.838
Base-Backbone interact. energy: -0.076
local terms energy: -61.729754
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -21.973
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -3.714
tors. eta vs tors. theta energy: -9.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -120.872624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.872624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.872624 (E_RNA)
where:
Base-Base interactions energy: -55.229
where: short stacking energy: -41.299
Base-Backbone interact. energy: -0.380
local terms energy: -65.263061
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -9.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -103.855984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.855984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.855984 (E_RNA)
where:
Base-Base interactions energy: -37.076
where: short stacking energy: -36.173
Base-Backbone interact. energy: -0.125
local terms energy: -66.655136
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -88.956747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.956747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.956747 (E_RNA)
where:
Base-Base interactions energy: -39.832
where: short stacking energy: -39.280
Base-Backbone interact. energy: 1.497
local terms energy: -50.622234
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -294.833879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.833879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.833879 (E_RNA)
where:
Base-Base interactions energy: -199.342
where: short stacking energy: -88.248
Base-Backbone interact. energy: -0.100
local terms energy: -95.391639
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -26.573
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: 10
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -282.376975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.376975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.376975 (E_RNA)
where:
Base-Base interactions energy: -186.339
where: short stacking energy: -82.327
Base-Backbone interact. energy: -0.179
local terms energy: -95.858928
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -21.705
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -24.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -291.466302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.466302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.466302 (E_RNA)
where:
Base-Base interactions energy: -201.874
where: short stacking energy: -76.527
Base-Backbone interact. energy: -0.634
local terms energy: -88.958394
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -20.325
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -24.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -283.675726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.675726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.675726 (E_RNA)
where:
Base-Base interactions energy: -194.588
where: short stacking energy: -74.959
Base-Backbone interact. energy: -0.014
local terms energy: -89.074089
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -23.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -273.809388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.809388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.809388 (E_RNA)
where:
Base-Base interactions energy: -187.790
where: short stacking energy: -75.081
Base-Backbone interact. energy: -0.028
local terms energy: -85.990633
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -23.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -200.896551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.896551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.896551 (E_RNA)
where:
Base-Base interactions energy: -131.669
where: short stacking energy: -55.719
Base-Backbone interact. energy: -0.147
local terms energy: -69.081060
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -13.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -98.612458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.612458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.612458 (E_RNA)
where:
Base-Base interactions energy: -39.891
where: short stacking energy: -34.399
Base-Backbone interact. energy: -0.330
local terms energy: -58.391434
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -4.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -99.251102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.251102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.251102 (E_RNA)
where:
Base-Base interactions energy: -41.593
where: short stacking energy: -27.583
Base-Backbone interact. energy: 1.488
local terms energy: -59.146708
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -2.126
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: 1
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -84.320038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.320038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.320038 (E_RNA)
where:
Base-Base interactions energy: -26.364
where: short stacking energy: -22.504
Base-Backbone interact. energy: -0.165
local terms energy: -57.791901
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -2.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -95.290970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.290970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.290970 (E_RNA)
where:
Base-Base interactions energy: -38.429
where: short stacking energy: -18.798
Base-Backbone interact. energy: -0.092
local terms energy: -56.769611
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: 0.837
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: 260
Temperature: 0.900000
Total energy: -297.910801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.910801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.910801 (E_RNA)
where:
Base-Base interactions energy: -199.300
where: short stacking energy: -90.270
Base-Backbone interact. energy: -0.043
local terms energy: -98.568405
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -27.059
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: 2, replica: 10
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -294.092450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.092450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.092450 (E_RNA)
where:
Base-Base interactions energy: -203.073
where: short stacking energy: -87.177
Base-Backbone interact. energy: -0.077
local terms energy: -90.941890
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -25.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -277.891746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.891746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.891746 (E_RNA)
where:
Base-Base interactions energy: -194.211
where: short stacking energy: -76.786
Base-Backbone interact. energy: -0.059
local terms energy: -83.621602
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -287.999513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.999513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.999513 (E_RNA)
where:
Base-Base interactions energy: -196.698
where: short stacking energy: -81.608
Base-Backbone interact. energy: -0.123
local terms energy: -91.178487
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -23.770
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: 5, replica: 5
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -268.962953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.962953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.962953 (E_RNA)
where:
Base-Base interactions energy: -180.701
where: short stacking energy: -87.114
Base-Backbone interact. energy: -0.031
local terms energy: -88.230858
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -23.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -222.097417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.097417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.097417 (E_RNA)
where:
Base-Base interactions energy: -148.473
where: short stacking energy: -64.827
Base-Backbone interact. energy: -0.002
local terms energy: -73.622614
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -19.814
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -14.933
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: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -102.668052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.668052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.668052 (E_RNA)
where:
Base-Base interactions energy: -35.017
where: short stacking energy: -34.857
Base-Backbone interact. energy: -0.144
local terms energy: -67.507082
where:
bonds (distance) C4'-P energy: -21.189
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -122.273956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.273956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.273956 (E_RNA)
where:
Base-Base interactions energy: -59.160
where: short stacking energy: -33.670
Base-Backbone interact. energy: -0.264
local terms energy: -62.849683
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -4.662
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: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -93.914135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.914135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.914135 (E_RNA)
where:
Base-Base interactions energy: -31.257
where: short stacking energy: -26.826
Base-Backbone interact. energy: -0.154
local terms energy: -62.502683
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -86.574331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.574331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.574331 (E_RNA)
where:
Base-Base interactions energy: -26.902
where: short stacking energy: -25.496
Base-Backbone interact. energy: 1.704
local terms energy: -61.376316
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -9.158
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: 261
Temperature: 0.900000
Total energy: -296.141531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.141531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.141531 (E_RNA)
where:
Base-Base interactions energy: -197.295
where: short stacking energy: -83.334
Base-Backbone interact. energy: -0.093
local terms energy: -98.753171
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -26.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -287.923033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.923033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.923033 (E_RNA)
where:
Base-Base interactions energy: -197.550
where: short stacking energy: -74.062
Base-Backbone interact. energy: -0.510
local terms energy: -89.863340
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -19.735
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -24.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -279.969537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.969537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.969537 (E_RNA)
where:
Base-Base interactions energy: -186.961
where: short stacking energy: -87.721
Base-Backbone interact. energy: -0.001
local terms energy: -93.007850
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -21.400
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -28.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -268.582484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.582484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.582484 (E_RNA)
where:
Base-Base interactions energy: -175.986
where: short stacking energy: -81.752
Base-Backbone interact. energy: -0.113
local terms energy: -92.482684
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -15.303
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: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -280.938479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.938479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.938479 (E_RNA)
where:
Base-Base interactions energy: -195.343
where: short stacking energy: -78.743
Base-Backbone interact. energy: 0.309
local terms energy: -85.904568
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -24.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -223.184783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.184783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.184783 (E_RNA)
where:
Base-Base interactions energy: -146.441
where: short stacking energy: -65.629
Base-Backbone interact. energy: -0.471
local terms energy: -76.273765
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -12.898
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: 7, replica: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -109.226447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.226447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.226447 (E_RNA)
where:
Base-Base interactions energy: -52.976
where: short stacking energy: -38.067
Base-Backbone interact. energy: -0.177
local terms energy: -56.073577
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -2.191
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -100.104759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.104759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.104759 (E_RNA)
where:
Base-Base interactions energy: -43.685
where: short stacking energy: -32.870
Base-Backbone interact. energy: -0.271
local terms energy: -56.149540
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -117.813118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.813118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.813118 (E_RNA)
where:
Base-Base interactions energy: -63.825
where: short stacking energy: -34.657
Base-Backbone interact. energy: -0.015
local terms energy: -53.972832
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -6.668
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -99.423641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.423641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.423641 (E_RNA)
where:
Base-Base interactions energy: -32.337
where: short stacking energy: -24.879
Base-Backbone interact. energy: -0.246
local terms energy: -66.841336
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -290.100944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.100944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.100944 (E_RNA)
where:
Base-Base interactions energy: -190.258
where: short stacking energy: -79.406
Base-Backbone interact. energy: -0.055
local terms energy: -99.787478
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -20.381
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -25.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -288.816568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.816568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.816568 (E_RNA)
where:
Base-Base interactions energy: -196.948
where: short stacking energy: -72.226
Base-Backbone interact. energy: -0.159
local terms energy: -91.709608
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -26.664
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: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -278.599525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.599525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.599525 (E_RNA)
where:
Base-Base interactions energy: -189.461
where: short stacking energy: -89.917
Base-Backbone interact. energy: -0.488
local terms energy: -88.650956
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -25.920
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: 262
Temperature: 1.050000
Total energy: -268.820342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.820342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.820342 (E_RNA)
where:
Base-Base interactions energy: -175.656
where: short stacking energy: -78.895
Base-Backbone interact. energy: -0.092
local terms energy: -93.072802
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -27.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -230.708941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.708941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.708941 (E_RNA)
where:
Base-Base interactions energy: -152.038
where: short stacking energy: -55.933
Base-Backbone interact. energy: -0.017
local terms energy: -78.653950
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -253.139059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.139059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.139059 (E_RNA)
where:
Base-Base interactions energy: -169.506
where: short stacking energy: -75.040
Base-Backbone interact. energy: -0.273
local terms energy: -83.360402
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -19.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -101.028752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.028752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.028752 (E_RNA)
where:
Base-Base interactions energy: -33.139
where: short stacking energy: -33.104
Base-Backbone interact. energy: -0.258
local terms energy: -67.631356
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -6.964
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: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -101.389344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.389344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.389344 (E_RNA)
where:
Base-Base interactions energy: -41.993
where: short stacking energy: -41.993
Base-Backbone interact. energy: 1.565
local terms energy: -60.960988
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -2.440
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: 9, replica: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -94.675914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.675914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.675914 (E_RNA)
where:
Base-Base interactions energy: -31.614
where: short stacking energy: -28.517
Base-Backbone interact. energy: -0.319
local terms energy: -62.743302
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: 0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -86.765552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.765552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.765552 (E_RNA)
where:
Base-Base interactions energy: -23.033
where: short stacking energy: -22.745
Base-Backbone interact. energy: -0.072
local terms energy: -63.660460
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -288.292814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.292814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.292814 (E_RNA)
where:
Base-Base interactions energy: -198.388
where: short stacking energy: -91.193
Base-Backbone interact. energy: -0.052
local terms energy: -89.852937
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -25.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -287.758760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.758760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.758760 (E_RNA)
where:
Base-Base interactions energy: -204.066
where: short stacking energy: -82.658
Base-Backbone interact. energy: -0.153
local terms energy: -83.540331
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -24.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -274.471896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.471896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.471896 (E_RNA)
where:
Base-Base interactions energy: -183.955
where: short stacking energy: -87.696
Base-Backbone interact. energy: -0.016
local terms energy: -90.501238
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -26.062
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: 10
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -281.868055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.868055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.868055 (E_RNA)
where:
Base-Base interactions energy: -187.719
where: short stacking energy: -80.990
Base-Backbone interact. energy: -0.844
local terms energy: -93.305120
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -25.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -221.839673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.839673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.839673 (E_RNA)
where:
Base-Base interactions energy: -137.739
where: short stacking energy: -58.960
Base-Backbone interact. energy: -0.737
local terms energy: -83.363403
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -249.490630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.490630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.490630 (E_RNA)
where:
Base-Base interactions energy: -162.028
where: short stacking energy: -69.648
Base-Backbone interact. energy: -0.263
local terms energy: -87.199434
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -109.788728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.788728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.788728 (E_RNA)
where:
Base-Base interactions energy: -44.657
where: short stacking energy: -40.634
Base-Backbone interact. energy: -0.308
local terms energy: -64.823888
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -6.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -113.748252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.748252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.748252 (E_RNA)
where:
Base-Base interactions energy: -55.726
where: short stacking energy: -36.312
Base-Backbone interact. energy: 0.232
local terms energy: -58.254729
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -98.899868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.899868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.899868 (E_RNA)
where:
Base-Base interactions energy: -36.339
where: short stacking energy: -29.355
Base-Backbone interact. energy: 1.050
local terms energy: -63.611367
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -9.040
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -6.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -85.352684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.352684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.352684 (E_RNA)
where:
Base-Base interactions energy: -38.007
where: short stacking energy: -32.249
Base-Backbone interact. energy: -0.100
local terms energy: -47.246619
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: 1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -292.039142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.039142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.039142 (E_RNA)
where:
Base-Base interactions energy: -201.306
where: short stacking energy: -76.430
Base-Backbone interact. energy: -0.468
local terms energy: -90.265160
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -7.648
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: 2, replica: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -297.932080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.932080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.932080 (E_RNA)
where:
Base-Base interactions energy: -200.389
where: short stacking energy: -84.949
Base-Backbone interact. energy: -0.097
local terms energy: -97.446348
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -27.225
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: 3, replica: 10
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -278.023182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.023182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.023182 (E_RNA)
where:
Base-Base interactions energy: -190.237
where: short stacking energy: -81.044
Base-Backbone interact. energy: -0.118
local terms energy: -87.667840
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -14.806
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: 4, replica: 5
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -280.198048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.198048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.198048 (E_RNA)
where:
Base-Base interactions energy: -181.434
where: short stacking energy: -79.815
Base-Backbone interact. energy: -0.090
local terms energy: -98.674435
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -16.794
tors. eta vs tors. theta energy: -24.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -269.978892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.978892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.978892 (E_RNA)
where:
Base-Base interactions energy: -178.622
where: short stacking energy: -75.402
Base-Backbone interact. energy: -0.063
local terms energy: -91.293203
where:
bonds (distance) C4'-P energy: -21.499
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -8.324
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: 6, replica: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -213.934671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.934671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.934671 (E_RNA)
where:
Base-Base interactions energy: -147.351
where: short stacking energy: -59.933
Base-Backbone interact. energy: 0.957
local terms energy: -67.540983
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -7.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -108.765326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.765326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.765326 (E_RNA)
where:
Base-Base interactions energy: -44.390
where: short stacking energy: -40.495
Base-Backbone interact. energy: -0.251
local terms energy: -64.124026
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -96.754444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.754444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.754444 (E_RNA)
where:
Base-Base interactions energy: -41.394
where: short stacking energy: -26.255
Base-Backbone interact. energy: 0.360
local terms energy: -55.721172
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -0.996
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: 2
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -96.637905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.637905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.637905 (E_RNA)
where:
Base-Base interactions energy: -35.333
where: short stacking energy: -35.333
Base-Backbone interact. energy: 1.219
local terms energy: -62.524274
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -10.588
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: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -84.673537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.673537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.673537 (E_RNA)
where:
Base-Base interactions energy: -29.937
where: short stacking energy: -20.516
Base-Backbone interact. energy: -0.264
local terms energy: -54.472938
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -1.209
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: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -295.360209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.360209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.360209 (E_RNA)
where:
Base-Base interactions energy: -207.224
where: short stacking energy: -78.439
Base-Backbone interact. energy: -0.163
local terms energy: -87.973513
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -24.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -278.223029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.223029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.223029 (E_RNA)
where:
Base-Base interactions energy: -183.604
where: short stacking energy: -82.100
Base-Backbone interact. energy: -0.250
local terms energy: -94.368837
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -21.145
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -23.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -286.660609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.660609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.660609 (E_RNA)
where:
Base-Base interactions energy: -187.816
where: short stacking energy: -80.612
Base-Backbone interact. energy: -0.004
local terms energy: -98.840793
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -21.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -273.290472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.290472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.290472 (E_RNA)
where:
Base-Base interactions energy: -181.617
where: short stacking energy: -82.619
Base-Backbone interact. energy: -0.006
local terms energy: -91.667888
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -26.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -266.642179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.642179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.642179 (E_RNA)
where:
Base-Base interactions energy: -172.305
where: short stacking energy: -78.074
Base-Backbone interact. energy: -0.084
local terms energy: -94.253153
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -27.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -238.932282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.932282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.932282 (E_RNA)
where:
Base-Base interactions energy: -173.935
where: short stacking energy: -74.663
Base-Backbone interact. energy: -0.460
local terms energy: -64.536983
where:
bonds (distance) C4'-P energy: -10.039
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -108.279800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.279800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.279800 (E_RNA)
where:
Base-Base interactions energy: -41.227
where: short stacking energy: -41.132
Base-Backbone interact. energy: -0.102
local terms energy: -66.950257
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -9.202
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: 8, replica: 2
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -103.454901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.454901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.454901 (E_RNA)
where:
Base-Base interactions energy: -41.703
where: short stacking energy: -37.051
Base-Backbone interact. energy: -0.027
local terms energy: -61.724631
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -9.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -91.805206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.805206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.805206 (E_RNA)
where:
Base-Base interactions energy: -34.430
where: short stacking energy: -33.043
Base-Backbone interact. energy: -0.029
local terms energy: -57.346716
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -6.142
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: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -103.407722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.407722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.407722 (E_RNA)
where:
Base-Base interactions energy: -48.721
where: short stacking energy: -33.579
Base-Backbone interact. energy: -0.248
local terms energy: -54.438192
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -284.130931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.130931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.130931 (E_RNA)
where:
Base-Base interactions energy: -188.994
where: short stacking energy: -81.160
Base-Backbone interact. energy: -0.007
local terms energy: -95.129945
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -23.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -291.899493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.899493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.899493 (E_RNA)
where:
Base-Base interactions energy: -196.724
where: short stacking energy: -71.688
Base-Backbone interact. energy: -0.155
local terms energy: -95.020347
where:
bonds (distance) C4'-P energy: -20.939
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -25.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -282.411627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.411627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.411627 (E_RNA)
where:
Base-Base interactions energy: -192.849
where: short stacking energy: -73.309
Base-Backbone interact. energy: -0.362
local terms energy: -89.199909
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -24.138
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: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -273.048187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.048187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.048187 (E_RNA)
where:
Base-Base interactions energy: -182.372
where: short stacking energy: -84.746
Base-Backbone interact. energy: -0.136
local terms energy: -90.540321
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -25.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -268.795028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.795028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.795028 (E_RNA)
where:
Base-Base interactions energy: -187.419
where: short stacking energy: -71.089
Base-Backbone interact. energy: -0.399
local terms energy: -80.976601
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -20.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -273.115737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.115737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.115737 (E_RNA)
where:
Base-Base interactions energy: -193.500
where: short stacking energy: -77.616
Base-Backbone interact. energy: -0.107
local terms energy: -79.508758
where:
bonds (distance) C4'-P energy: -10.809
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -12.699
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: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -96.760720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.760720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.760720 (E_RNA)
where:
Base-Base interactions energy: -39.804
where: short stacking energy: -14.957
Base-Backbone interact. energy: 1.073
local terms energy: -58.030203
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: 4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -92.851435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.851435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.851435 (E_RNA)
where:
Base-Base interactions energy: -36.217
where: short stacking energy: -36.217
Base-Backbone interact. energy: -0.575
local terms energy: -56.059382
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -2.555
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: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -85.394092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.394092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.394092 (E_RNA)
where:
Base-Base interactions energy: -33.372
where: short stacking energy: -28.034
Base-Backbone interact. energy: -0.140
local terms energy: -51.881693
where:
bonds (distance) C4'-P energy: -7.030
bonds (distance) P-C4' energy: -19.419
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: 3.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -79.388613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.388613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.388613 (E_RNA)
where:
Base-Base interactions energy: -23.340
where: short stacking energy: -21.541
Base-Backbone interact. energy: -0.214
local terms energy: -55.835327
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: 1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -291.305365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.305365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.305365 (E_RNA)
where:
Base-Base interactions energy: -203.593
where: short stacking energy: -76.131
Base-Backbone interact. energy: -0.460
local terms energy: -87.252193
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -21.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -282.983343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.983343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.983343 (E_RNA)
where:
Base-Base interactions energy: -195.659
where: short stacking energy: -84.586
Base-Backbone interact. energy: -0.045
local terms energy: -87.279253
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -27.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -271.805030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.805030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.805030 (E_RNA)
where:
Base-Base interactions energy: -185.408
where: short stacking energy: -65.262
Base-Backbone interact. energy: -0.296
local terms energy: -86.101099
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -19.075
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -21.425
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: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -276.945008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.945008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.945008 (E_RNA)
where:
Base-Base interactions energy: -185.039
where: short stacking energy: -79.894
Base-Backbone interact. energy: -0.113
local terms energy: -91.793282
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -11.773
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: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -264.153508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.153508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.153508 (E_RNA)
where:
Base-Base interactions energy: -176.739
where: short stacking energy: -66.064
Base-Backbone interact. energy: -0.107
local terms energy: -87.307265
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -22.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -229.423767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.423767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.423767 (E_RNA)
where:
Base-Base interactions energy: -149.740
where: short stacking energy: -60.864
Base-Backbone interact. energy: -0.367
local terms energy: -79.317209
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -18.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -108.106820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.106820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.106820 (E_RNA)
where:
Base-Base interactions energy: -45.189
where: short stacking energy: -44.897
Base-Backbone interact. energy: -0.181
local terms energy: -62.736418
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -115.985400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.985400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.985400 (E_RNA)
where:
Base-Base interactions energy: -46.895
where: short stacking energy: -36.807
Base-Backbone interact. energy: -0.153
local terms energy: -68.937377
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -8.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -96.621148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.621148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.621148 (E_RNA)
where:
Base-Base interactions energy: -39.197
where: short stacking energy: -34.852
Base-Backbone interact. energy: -0.137
local terms energy: -57.286795
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -88.961781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.961781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.961781 (E_RNA)
where:
Base-Base interactions energy: -31.643
where: short stacking energy: -31.643
Base-Backbone interact. energy: -0.259
local terms energy: -57.059931
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -2.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -282.412471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.412471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.412471 (E_RNA)
where:
Base-Base interactions energy: -196.597
where: short stacking energy: -86.188
Base-Backbone interact. energy: -0.454
local terms energy: -85.361447
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -8.504
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -29.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -284.240790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.240790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.240790 (E_RNA)
where:
Base-Base interactions energy: -188.827
where: short stacking energy: -77.918
Base-Backbone interact. energy: -0.016
local terms energy: -95.398284
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -25.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -284.315966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.315966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.315966 (E_RNA)
where:
Base-Base interactions energy: -194.349
where: short stacking energy: -80.160
Base-Backbone interact. energy: -0.587
local terms energy: -89.380157
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -26.224
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: 268
Temperature: 1.050000
Total energy: -274.804980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.804980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.804980 (E_RNA)
where:
Base-Base interactions energy: -188.069
where: short stacking energy: -74.068
Base-Backbone interact. energy: -0.102
local terms energy: -86.634412
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -266.485335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.485335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.485335 (E_RNA)
where:
Base-Base interactions energy: -182.835
where: short stacking energy: -67.028
Base-Backbone interact. energy: -1.189
local terms energy: -82.461710
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -20.002
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -21.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -250.007538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.007538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.007538 (E_RNA)
where:
Base-Base interactions energy: -175.953
where: short stacking energy: -73.364
Base-Backbone interact. energy: -0.164
local terms energy: -73.890955
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -17.184
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: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -111.330745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.330745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.330745 (E_RNA)
where:
Base-Base interactions energy: -41.293
where: short stacking energy: -28.471
Base-Backbone interact. energy: -0.116
local terms energy: -69.922201
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -17.522
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -96.060919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.060919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.060919 (E_RNA)
where:
Base-Base interactions energy: -41.328
where: short stacking energy: -35.097
Base-Backbone interact. energy: -0.445
local terms energy: -54.287452
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: 0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -92.879533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.879533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.879533 (E_RNA)
where:
Base-Base interactions energy: -29.833
where: short stacking energy: -26.352
Base-Backbone interact. energy: -0.065
local terms energy: -62.981566
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: 0.775
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: 10, replica: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -92.055807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.055807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.055807 (E_RNA)
where:
Base-Base interactions energy: -42.777
where: short stacking energy: -28.275
Base-Backbone interact. energy: -0.256
local terms energy: -49.022724
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: 2.103
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: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -292.582451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.582451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.582451 (E_RNA)
where:
Base-Base interactions energy: -204.380
where: short stacking energy: -83.340
Base-Backbone interact. energy: -0.116
local terms energy: -88.086410
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -24.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -278.273569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.273569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.273569 (E_RNA)
where:
Base-Base interactions energy: -190.714
where: short stacking energy: -81.287
Base-Backbone interact. energy: -0.053
local terms energy: -87.506629
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -26.167
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: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -288.475984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.475984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.475984 (E_RNA)
where:
Base-Base interactions energy: -192.705
where: short stacking energy: -88.941
Base-Backbone interact. energy: -0.115
local terms energy: -95.655650
where:
bonds (distance) C4'-P energy: -21.196
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -27.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -249.040593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.040593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.040593 (E_RNA)
where:
Base-Base interactions energy: -174.272
where: short stacking energy: -62.488
Base-Backbone interact. energy: -0.134
local terms energy: -74.634069
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -274.955944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.955944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.955944 (E_RNA)
where:
Base-Base interactions energy: -186.885
where: short stacking energy: -72.222
Base-Backbone interact. energy: -0.062
local terms energy: -88.009344
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -22.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -248.549630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.549630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.549630 (E_RNA)
where:
Base-Base interactions energy: -166.320
where: short stacking energy: -67.420
Base-Backbone interact. energy: -0.710
local terms energy: -81.519771
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -19.516
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: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -104.140246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.140246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.140246 (E_RNA)
where:
Base-Base interactions energy: -31.936
where: short stacking energy: -29.749
Base-Backbone interact. energy: -0.527
local terms energy: -71.677191
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -9.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -116.050516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.050516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.050516 (E_RNA)
where:
Base-Base interactions energy: -40.534
where: short stacking energy: -39.789
Base-Backbone interact. energy: -0.044
local terms energy: -75.472045
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -13.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -99.350168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.350168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.350168 (E_RNA)
where:
Base-Base interactions energy: -40.218
where: short stacking energy: -29.758
Base-Backbone interact. energy: -0.751
local terms energy: -58.381633
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -91.025681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.025681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.025681 (E_RNA)
where:
Base-Base interactions energy: -27.306
where: short stacking energy: -25.696
Base-Backbone interact. energy: -0.176
local terms energy: -63.543496
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -1.913
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: 1, replica: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -286.974634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.974634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.974634 (E_RNA)
where:
Base-Base interactions energy: -196.388
where: short stacking energy: -82.215
Base-Backbone interact. energy: -0.057
local terms energy: -90.529590
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -20.164
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -21.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -288.738104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.738104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.738104 (E_RNA)
where:
Base-Base interactions energy: -194.959
where: short stacking energy: -89.583
Base-Backbone interact. energy: -0.070
local terms energy: -93.709174
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -27.385
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: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -277.668577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.668577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.668577 (E_RNA)
where:
Base-Base interactions energy: -184.075
where: short stacking energy: -83.142
Base-Backbone interact. energy: 0.203
local terms energy: -93.796671
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -19.612
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: -28.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -229.557363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.557363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.557363 (E_RNA)
where:
Base-Base interactions energy: -149.477
where: short stacking energy: -65.455
Base-Backbone interact. energy: -0.086
local terms energy: -79.994354
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -20.457
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -13.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -272.190859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.190859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.190859 (E_RNA)
where:
Base-Base interactions energy: -189.516
where: short stacking energy: -67.471
Base-Backbone interact. energy: -0.186
local terms energy: -82.488709
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -0.893
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -237.846341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.846341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.846341 (E_RNA)
where:
Base-Base interactions energy: -154.326
where: short stacking energy: -76.077
Base-Backbone interact. energy: -0.057
local terms energy: -83.463146
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -21.396
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -19.801
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: 270
Temperature: 1.200000
Total energy: -101.299120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.299120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.299120 (E_RNA)
where:
Base-Base interactions energy: -45.521
where: short stacking energy: -36.420
Base-Backbone interact. energy: -0.032
local terms energy: -55.746644
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: 0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -115.475351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.475351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.475351 (E_RNA)
where:
Base-Base interactions energy: -49.905
where: short stacking energy: -37.110
Base-Backbone interact. energy: -0.431
local terms energy: -65.138748
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -4.333
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: 1
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -82.926310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.926310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.926310 (E_RNA)
where:
Base-Base interactions energy: -30.919
where: short stacking energy: -20.075
Base-Backbone interact. energy: -0.137
local terms energy: -51.870016
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: 1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -82.516288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.516288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.516288 (E_RNA)
where:
Base-Base interactions energy: -34.399
where: short stacking energy: -22.255
Base-Backbone interact. energy: -0.260
local terms energy: -47.856875
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -7.788
flat angles P-C4'-P energy: -7.714
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: 7
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -295.851393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.851393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.851393 (E_RNA)
where:
Base-Base interactions energy: -197.345
where: short stacking energy: -81.439
Base-Backbone interact. energy: -0.143
local terms energy: -98.363757
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -25.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -288.051791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.051791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.051791 (E_RNA)
where:
Base-Base interactions energy: -201.758
where: short stacking energy: -76.996
Base-Backbone interact. energy: -0.167
local terms energy: -86.126487
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -21.977
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: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -271.108051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.108051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.108051 (E_RNA)
where:
Base-Base interactions energy: -182.628
where: short stacking energy: -62.644
Base-Backbone interact. energy: 0.011
local terms energy: -88.491380
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -266.126521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.126521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.126521 (E_RNA)
where:
Base-Base interactions energy: -180.388
where: short stacking energy: -66.407
Base-Backbone interact. energy: -0.001
local terms energy: -85.738068
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -20.959
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: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -223.990359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.990359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.990359 (E_RNA)
where:
Base-Base interactions energy: -142.727
where: short stacking energy: -58.384
Base-Backbone interact. energy: -0.706
local terms energy: -80.557620
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -15.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -218.825649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.825649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.825649 (E_RNA)
where:
Base-Base interactions energy: -143.204
where: short stacking energy: -56.213
Base-Backbone interact. energy: 0.026
local terms energy: -75.647297
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -10.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -112.744240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.744240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.744240 (E_RNA)
where:
Base-Base interactions energy: -48.228
where: short stacking energy: -43.505
Base-Backbone interact. energy: -0.143
local terms energy: -64.373018
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -5.845
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: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -83.246180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.246180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.246180 (E_RNA)
where:
Base-Base interactions energy: -22.625
where: short stacking energy: -19.136
Base-Backbone interact. energy: -0.318
local terms energy: -60.303020
where:
bonds (distance) C4'-P energy: -21.427
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -3.047
tors. eta vs tors. theta energy: -0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -86.198925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.198925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.198925 (E_RNA)
where:
Base-Base interactions energy: -31.450
where: short stacking energy: -29.839
Base-Backbone interact. energy: -0.010
local terms energy: -54.739309
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -1.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -88.136257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.136257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.136257 (E_RNA)
where:
Base-Base interactions energy: -40.058
where: short stacking energy: -25.144
Base-Backbone interact. energy: -0.296
local terms energy: -47.782295
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: 3.870
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: 1, replica: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -296.692593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.692593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.692593 (E_RNA)
where:
Base-Base interactions energy: -199.106
where: short stacking energy: -85.724
Base-Backbone interact. energy: -0.354
local terms energy: -97.232674
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -20.741
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -25.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -289.476277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.476277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.476277 (E_RNA)
where:
Base-Base interactions energy: -191.832
where: short stacking energy: -89.928
Base-Backbone interact. energy: -0.016
local terms energy: -97.628056
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -26.097
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: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -275.727890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.727890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.727890 (E_RNA)
where:
Base-Base interactions energy: -187.332
where: short stacking energy: -69.327
Base-Backbone interact. energy: -0.102
local terms energy: -88.293662
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -21.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -263.531209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.531209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.531209 (E_RNA)
where:
Base-Base interactions energy: -178.624
where: short stacking energy: -72.402
Base-Backbone interact. energy: -0.370
local terms energy: -84.537524
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -18.631
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: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -221.861176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.861176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.861176 (E_RNA)
where:
Base-Base interactions energy: -136.033
where: short stacking energy: -65.044
Base-Backbone interact. energy: -0.017
local terms energy: -85.811304
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -23.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -208.286397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.286397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.286397 (E_RNA)
where:
Base-Base interactions energy: -136.207
where: short stacking energy: -60.153
Base-Backbone interact. energy: -0.317
local terms energy: -71.762647
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -102.339183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.339183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.339183 (E_RNA)
where:
Base-Base interactions energy: -35.709
where: short stacking energy: -30.865
Base-Backbone interact. energy: 0.338
local terms energy: -66.967768
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: 1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -100.822924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.822924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.822924 (E_RNA)
where:
Base-Base interactions energy: -40.411
where: short stacking energy: -37.134
Base-Backbone interact. energy: 0.414
local terms energy: -60.826613
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -6.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -80.748374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.748374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.748374 (E_RNA)
where:
Base-Base interactions energy: -33.046
where: short stacking energy: -24.164
Base-Backbone interact. energy: -0.422
local terms energy: -47.279647
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -18.917
flat angles C4'-P-C4' energy: -10.521
flat angles P-C4'-P energy: -3.820
tors. eta vs tors. theta energy: 3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -98.398426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.398426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.398426 (E_RNA)
where:
Base-Base interactions energy: -28.400
where: short stacking energy: -28.400
Base-Backbone interact. energy: -0.043
local terms energy: -69.955404
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -11.558
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: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -295.656470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.656470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.656470 (E_RNA)
where:
Base-Base interactions energy: -193.823
where: short stacking energy: -87.091
Base-Backbone interact. energy: -0.027
local terms energy: -101.806075
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -25.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -299.642129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.642129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.642129 (E_RNA)
where:
Base-Base interactions energy: -210.182
where: short stacking energy: -85.189
Base-Backbone interact. energy: 0.119
local terms energy: -89.579453
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -21.675
flat angles P-C4'-P energy: -11.486
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: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -289.277868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.277868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.277868 (E_RNA)
where:
Base-Base interactions energy: -194.902
where: short stacking energy: -71.575
Base-Backbone interact. energy: -0.772
local terms energy: -93.604281
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -27.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -242.188605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.188605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.188605 (E_RNA)
where:
Base-Base interactions energy: -162.627
where: short stacking energy: -75.709
Base-Backbone interact. energy: -0.519
local terms energy: -79.043344
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -22.585
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: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -223.145540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.145540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.145540 (E_RNA)
where:
Base-Base interactions energy: -147.852
where: short stacking energy: -69.484
Base-Backbone interact. energy: -0.306
local terms energy: -74.987233
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -18.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -228.098269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.098269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.098269 (E_RNA)
where:
Base-Base interactions energy: -154.093
where: short stacking energy: -61.244
Base-Backbone interact. energy: -0.465
local terms energy: -73.540944
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -13.965
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: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -100.817868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.817868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.817868 (E_RNA)
where:
Base-Base interactions energy: -46.752
where: short stacking energy: -21.718
Base-Backbone interact. energy: -0.491
local terms energy: -53.574904
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: 1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -101.998751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.998751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.998751 (E_RNA)
where:
Base-Base interactions energy: -48.844
where: short stacking energy: -32.063
Base-Backbone interact. energy: 0.056
local terms energy: -53.211221
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -9.604
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -97.035689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.035689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.035689 (E_RNA)
where:
Base-Base interactions energy: -37.839
where: short stacking energy: -36.777
Base-Backbone interact. energy: -0.348
local terms energy: -58.849123
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -4.976
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: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -125.178993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.178993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.178993 (E_RNA)
where:
Base-Base interactions energy: -65.625
where: short stacking energy: -30.949
Base-Backbone interact. energy: -0.226
local terms energy: -59.327356
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -12.975
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: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -295.524071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.524071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.524071 (E_RNA)
where:
Base-Base interactions energy: -201.842
where: short stacking energy: -83.595
Base-Backbone interact. energy: -0.051
local terms energy: -93.630392
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -19.827
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -25.745
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: 2, replica: 10
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -282.657345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.657345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.657345 (E_RNA)
where:
Base-Base interactions energy: -185.167
where: short stacking energy: -87.905
Base-Backbone interact. energy: -0.073
local terms energy: -97.417887
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -19.524
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -25.916
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: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -282.554159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.554159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.554159 (E_RNA)
where:
Base-Base interactions energy: -189.739
where: short stacking energy: -72.892
Base-Backbone interact. energy: -0.056
local terms energy: -92.758799
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -18.363
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: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -255.529762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.529762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.529762 (E_RNA)
where:
Base-Base interactions energy: -164.530
where: short stacking energy: -74.337
Base-Backbone interact. energy: -0.021
local terms energy: -90.978455
where:
bonds (distance) C4'-P energy: -18.534
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -22.751
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: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -252.678596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.678596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.678596 (E_RNA)
where:
Base-Base interactions energy: -169.727
where: short stacking energy: -71.967
Base-Backbone interact. energy: 0.514
local terms energy: -83.465858
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -22.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -216.176112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.176112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.176112 (E_RNA)
where:
Base-Base interactions energy: -137.656
where: short stacking energy: -63.560
Base-Backbone interact. energy: -0.038
local terms energy: -78.481630
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -18.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -105.165135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.165135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.165135 (E_RNA)
where:
Base-Base interactions energy: -39.853
where: short stacking energy: -27.484
Base-Backbone interact. energy: -0.002
local terms energy: -65.309988
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -112.712433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.712433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.712433 (E_RNA)
where:
Base-Base interactions energy: -47.988
where: short stacking energy: -47.988
Base-Backbone interact. energy: -0.822
local terms energy: -63.902225
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -5.932
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: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -99.832194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.832194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.832194 (E_RNA)
where:
Base-Base interactions energy: -37.738
where: short stacking energy: -32.463
Base-Backbone interact. energy: -0.209
local terms energy: -61.885450
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -0.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -90.378467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.378467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.378467 (E_RNA)
where:
Base-Base interactions energy: -29.082
where: short stacking energy: -25.870
Base-Backbone interact. energy: -0.028
local terms energy: -61.268797
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: 0.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -288.710978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.710978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.710978 (E_RNA)
where:
Base-Base interactions energy: -203.873
where: short stacking energy: -74.791
Base-Backbone interact. energy: -0.279
local terms energy: -84.558589
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -20.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -288.145959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.145959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.145959 (E_RNA)
where:
Base-Base interactions energy: -187.255
where: short stacking energy: -85.981
Base-Backbone interact. energy: -0.072
local terms energy: -100.819263
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -22.049
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -27.207
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: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -282.853922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.853922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.853922 (E_RNA)
where:
Base-Base interactions energy: -191.324
where: short stacking energy: -70.400
Base-Backbone interact. energy: -0.386
local terms energy: -91.143581
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -25.473
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: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -264.110137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.110137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.110137 (E_RNA)
where:
Base-Base interactions energy: -186.144
where: short stacking energy: -73.383
Base-Backbone interact. energy: -1.194
local terms energy: -76.772800
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -19.421
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: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -247.199352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.199352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.199352 (E_RNA)
where:
Base-Base interactions energy: -161.556
where: short stacking energy: -71.957
Base-Backbone interact. energy: -0.126
local terms energy: -85.517281
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -19.476
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -217.483972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.483972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.483972 (E_RNA)
where:
Base-Base interactions energy: -141.475
where: short stacking energy: -72.276
Base-Backbone interact. energy: -0.143
local terms energy: -75.866280
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -22.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -105.352716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.352716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.352716 (E_RNA)
where:
Base-Base interactions energy: -34.259
where: short stacking energy: -34.259
Base-Backbone interact. energy: 0.272
local terms energy: -71.366093
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -10.158
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: 8, replica: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -99.373574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.373574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.373574 (E_RNA)
where:
Base-Base interactions energy: -41.695
where: short stacking energy: -36.694
Base-Backbone interact. energy: -1.058
local terms energy: -56.619849
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: 0.326
tors. eta vs tors. theta energy: -6.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -103.381500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.381500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.381500 (E_RNA)
where:
Base-Base interactions energy: -38.928
where: short stacking energy: -35.887
Base-Backbone interact. energy: -0.142
local terms energy: -64.311422
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -6.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -92.613335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.613335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.613335 (E_RNA)
where:
Base-Base interactions energy: -39.753
where: short stacking energy: -19.799
Base-Backbone interact. energy: -0.497
local terms energy: -52.363560
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -0.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -299.403266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.403266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.403266 (E_RNA)
where:
Base-Base interactions energy: -204.592
where: short stacking energy: -90.010
Base-Backbone interact. energy: -0.104
local terms energy: -94.707348
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -25.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -288.254294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.254294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.254294 (E_RNA)
where:
Base-Base interactions energy: -201.626
where: short stacking energy: -82.843
Base-Backbone interact. energy: -0.120
local terms energy: -86.508539
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -18.622
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: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -273.763359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.763359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.763359 (E_RNA)
where:
Base-Base interactions energy: -184.037
where: short stacking energy: -68.568
Base-Backbone interact. energy: -0.196
local terms energy: -89.530355
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -277.604876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.604876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.604876 (E_RNA)
where:
Base-Base interactions energy: -193.109
where: short stacking energy: -73.100
Base-Backbone interact. energy: -0.443
local terms energy: -84.052450
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -25.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -239.816519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.816519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.816519 (E_RNA)
where:
Base-Base interactions energy: -156.212
where: short stacking energy: -62.817
Base-Backbone interact. energy: -0.003
local terms energy: -83.601199
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -17.916
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -21.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -217.659339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.659339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.659339 (E_RNA)
where:
Base-Base interactions energy: -142.669
where: short stacking energy: -67.116
Base-Backbone interact. energy: -0.593
local terms energy: -74.397692
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -21.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -97.491938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.491938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.491938 (E_RNA)
where:
Base-Base interactions energy: -39.969
where: short stacking energy: -27.340
Base-Backbone interact. energy: -0.178
local terms energy: -57.344462
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -0.040
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: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -97.917742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.917742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.917742 (E_RNA)
where:
Base-Base interactions energy: -38.839
where: short stacking energy: -36.773
Base-Backbone interact. energy: 0.007
local terms energy: -59.085273
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -7.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -99.116346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.116346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.116346 (E_RNA)
where:
Base-Base interactions energy: -32.221
where: short stacking energy: -31.172
Base-Backbone interact. energy: 0.628
local terms energy: -67.523023
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -6.887
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: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -79.888979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.888979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.888979 (E_RNA)
where:
Base-Base interactions energy: -24.491
where: short stacking energy: -23.782
Base-Backbone interact. energy: -0.272
local terms energy: -55.126500
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -21.632
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -5.796
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: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -299.256045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.256045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.256045 (E_RNA)
where:
Base-Base interactions energy: -209.172
where: short stacking energy: -82.317
Base-Backbone interact. energy: -0.258
local terms energy: -89.826223
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -25.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -289.787990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.787990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.787990 (E_RNA)
where:
Base-Base interactions energy: -198.899
where: short stacking energy: -95.279
Base-Backbone interact. energy: -0.004
local terms energy: -90.885666
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -22.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -271.804014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.804014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.804014 (E_RNA)
where:
Base-Base interactions energy: -183.241
where: short stacking energy: -74.735
Base-Backbone interact. energy: -0.749
local terms energy: -87.813802
where:
bonds (distance) C4'-P energy: -21.826
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -19.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -251.946384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.946384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.946384 (E_RNA)
where:
Base-Base interactions energy: -166.626
where: short stacking energy: -71.516
Base-Backbone interact. energy: -0.200
local terms energy: -85.119662
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -18.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -268.824208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.824208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.824208 (E_RNA)
where:
Base-Base interactions energy: -190.275
where: short stacking energy: -74.286
Base-Backbone interact. energy: 0.291
local terms energy: -78.840758
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -19.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -223.482938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.482938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.482938 (E_RNA)
where:
Base-Base interactions energy: -143.151
where: short stacking energy: -69.032
Base-Backbone interact. energy: -0.836
local terms energy: -79.495696
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -117.137906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.137906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.137906 (E_RNA)
where:
Base-Base interactions energy: -45.309
where: short stacking energy: -34.294
Base-Backbone interact. energy: 0.245
local terms energy: -72.074152
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -91.172683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.172683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.172683 (E_RNA)
where:
Base-Base interactions energy: -32.738
where: short stacking energy: -32.210
Base-Backbone interact. energy: -0.175
local terms energy: -58.259767
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -6.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -119.733289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.733289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.733289 (E_RNA)
where:
Base-Base interactions energy: -64.527
where: short stacking energy: -29.705
Base-Backbone interact. energy: -2.391
local terms energy: -52.814876
where:
bonds (distance) C4'-P energy: -8.723
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: 0.078
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: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -81.975797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.975797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.975797 (E_RNA)
where:
Base-Base interactions energy: -25.352
where: short stacking energy: -22.645
Base-Backbone interact. energy: -0.087
local terms energy: -56.536986
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -3.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -294.529026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.529026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.529026 (E_RNA)
where:
Base-Base interactions energy: -196.678
where: short stacking energy: -88.636
Base-Backbone interact. energy: -0.033
local terms energy: -97.818859
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -25.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -296.306796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.306796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.306796 (E_RNA)
where:
Base-Base interactions energy: -198.468
where: short stacking energy: -76.943
Base-Backbone interact. energy: -0.235
local terms energy: -97.603568
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -22.533
flat angles P-C4'-P energy: -15.809
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: 3, replica: 5
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -281.902765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.902765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.902765 (E_RNA)
where:
Base-Base interactions energy: -194.604
where: short stacking energy: -79.503
Base-Backbone interact. energy: -0.100
local terms energy: -87.197947
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -17.391
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -22.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -253.970070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.970070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.970070 (E_RNA)
where:
Base-Base interactions energy: -181.080
where: short stacking energy: -79.722
Base-Backbone interact. energy: -0.047
local terms energy: -72.842868
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -218.957550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.957550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.957550 (E_RNA)
where:
Base-Base interactions energy: -135.586
where: short stacking energy: -62.011
Base-Backbone interact. energy: -0.303
local terms energy: -83.067978
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -21.375
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -18.982
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: 278
Temperature: 1.150000
Total energy: -263.768333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.768333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.768333 (E_RNA)
where:
Base-Base interactions energy: -189.339
where: short stacking energy: -74.094
Base-Backbone interact. energy: -0.199
local terms energy: -74.230597
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -7.424
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -22.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -119.267603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.267603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.267603 (E_RNA)
where:
Base-Base interactions energy: -64.846
where: short stacking energy: -26.206
Base-Backbone interact. energy: -0.501
local terms energy: -53.920372
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: 0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -88.415665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.415665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.415665 (E_RNA)
where:
Base-Base interactions energy: -33.333
where: short stacking energy: -24.596
Base-Backbone interact. energy: -0.353
local terms energy: -54.729765
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -11.993
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: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -83.498140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.498140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.498140 (E_RNA)
where:
Base-Base interactions energy: -39.086
where: short stacking energy: -22.164
Base-Backbone interact. energy: 0.115
local terms energy: -44.526955
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -8.566
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -0.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -85.018488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.018488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.018488 (E_RNA)
where:
Base-Base interactions energy: -30.333
where: short stacking energy: -11.941
Base-Backbone interact. energy: -0.436
local terms energy: -54.249594
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -0.887
tors. eta vs tors. theta energy: -4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -297.825953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.825953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.825953 (E_RNA)
where:
Base-Base interactions energy: -202.994
where: short stacking energy: -88.317
Base-Backbone interact. energy: -0.101
local terms energy: -94.731523
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -26.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -284.179978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.179978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.179978 (E_RNA)
where:
Base-Base interactions energy: -199.109
where: short stacking energy: -81.563
Base-Backbone interact. energy: 0.183
local terms energy: -85.253307
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -283.197067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.197067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.197067 (E_RNA)
where:
Base-Base interactions energy: -202.465
where: short stacking energy: -83.470
Base-Backbone interact. energy: -0.100
local terms energy: -80.631698
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -10.059
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: 4, replica: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -255.031401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.031401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.031401 (E_RNA)
where:
Base-Base interactions energy: -173.995
where: short stacking energy: -78.076
Base-Backbone interact. energy: -0.042
local terms energy: -80.993676
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -18.749
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: 5, replica: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -223.848380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.848380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.848380 (E_RNA)
where:
Base-Base interactions energy: -146.904
where: short stacking energy: -67.477
Base-Backbone interact. energy: -0.224
local terms energy: -76.720169
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -19.882
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: 6, replica: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -257.896392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.896392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.896392 (E_RNA)
where:
Base-Base interactions energy: -180.286
where: short stacking energy: -72.648
Base-Backbone interact. energy: 0.229
local terms energy: -77.839953
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -23.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -179.278752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.278752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.278752 (E_RNA)
where:
Base-Base interactions energy: -108.132
where: short stacking energy: -46.607
Base-Backbone interact. energy: -1.218
local terms energy: -69.929010
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -9.732
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: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -120.235290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.235290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.235290 (E_RNA)
where:
Base-Base interactions energy: -54.037
where: short stacking energy: -42.899
Base-Backbone interact. energy: -0.156
local terms energy: -66.042279
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -93.266968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.266968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.266968 (E_RNA)
where:
Base-Base interactions energy: -39.480
where: short stacking energy: -39.480
Base-Backbone interact. energy: -0.342
local terms energy: -53.445433
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -8.728
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -5.747
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: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -98.581934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.581934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.581934 (E_RNA)
where:
Base-Base interactions energy: -39.173
where: short stacking energy: -33.054
Base-Backbone interact. energy: -0.180
local terms energy: -59.229018
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -295.904825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.904825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.904825 (E_RNA)
where:
Base-Base interactions energy: -199.198
where: short stacking energy: -86.404
Base-Backbone interact. energy: -0.063
local terms energy: -96.643857
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -22.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -290.188495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.188495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.188495 (E_RNA)
where:
Base-Base interactions energy: -197.320
where: short stacking energy: -81.515
Base-Backbone interact. energy: -0.029
local terms energy: -92.839749
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: -23.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -267.030418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.030418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.030418 (E_RNA)
where:
Base-Base interactions energy: -176.811
where: short stacking energy: -76.168
Base-Backbone interact. energy: -0.011
local terms energy: -90.209222
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -24.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -252.853652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.853652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.853652 (E_RNA)
where:
Base-Base interactions energy: -172.431
where: short stacking energy: -71.766
Base-Backbone interact. energy: -0.510
local terms energy: -79.913214
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: -21.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -270.094617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.094617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.094617 (E_RNA)
where:
Base-Base interactions energy: -187.612
where: short stacking energy: -73.324
Base-Backbone interact. energy: -0.190
local terms energy: -82.292479
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -23.381
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: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -214.440051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.440051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.440051 (E_RNA)
where:
Base-Base interactions energy: -137.767
where: short stacking energy: -61.522
Base-Backbone interact. energy: -0.218
local terms energy: -76.454369
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -13.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -177.686667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.686667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.686667 (E_RNA)
where:
Base-Base interactions energy: -111.994
where: short stacking energy: -55.875
Base-Backbone interact. energy: -0.304
local terms energy: -65.388790
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -9.744
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -13.667
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: 8, replica: 9
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -104.493560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.493560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.493560 (E_RNA)
where:
Base-Base interactions energy: -45.982
where: short stacking energy: -37.856
Base-Backbone interact. energy: -0.191
local terms energy: -58.320953
where:
bonds (distance) C4'-P energy: -10.196
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -89.254486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.254486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.254486 (E_RNA)
where:
Base-Base interactions energy: -39.500
where: short stacking energy: -29.467
Base-Backbone interact. energy: -0.143
local terms energy: -49.611220
where:
bonds (distance) C4'-P energy: -7.937
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -97.081653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.081653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.081653 (E_RNA)
where:
Base-Base interactions energy: -40.629
where: short stacking energy: -39.241
Base-Backbone interact. energy: 0.285
local terms energy: -56.737489
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -5.282
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -284.015478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.015478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.015478 (E_RNA)
where:
Base-Base interactions energy: -188.074
where: short stacking energy: -80.804
Base-Backbone interact. energy: -0.116
local terms energy: -95.826385
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -21.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -292.842014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.842014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.842014 (E_RNA)
where:
Base-Base interactions energy: -200.002
where: short stacking energy: -79.590
Base-Backbone interact. energy: -0.143
local terms energy: -92.696808
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -23.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -283.756619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.756619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.756619 (E_RNA)
where:
Base-Base interactions energy: -192.967
where: short stacking energy: -81.379
Base-Backbone interact. energy: -0.055
local terms energy: -90.734385
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -23.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -265.059375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.059375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.059375 (E_RNA)
where:
Base-Base interactions energy: -182.321
where: short stacking energy: -66.262
Base-Backbone interact. energy: -0.611
local terms energy: -82.128262
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -21.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -248.111432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.111432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.111432 (E_RNA)
where:
Base-Base interactions energy: -165.415
where: short stacking energy: -75.659
Base-Backbone interact. energy: -0.122
local terms energy: -82.575222
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -20.647
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -17.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -220.112586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.112586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.112586 (E_RNA)
where:
Base-Base interactions energy: -136.923
where: short stacking energy: -58.990
Base-Backbone interact. energy: -0.005
local terms energy: -83.184490
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -17.072
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: 7, replica: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -182.515997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.515997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.515997 (E_RNA)
where:
Base-Base interactions energy: -109.559
where: short stacking energy: -41.107
Base-Backbone interact. energy: -0.146
local terms energy: -72.810598
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -10.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -107.907502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.907502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.907502 (E_RNA)
where:
Base-Base interactions energy: -46.032
where: short stacking energy: -29.777
Base-Backbone interact. energy: -0.421
local terms energy: -61.454050
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: -3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -91.580437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.580437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.580437 (E_RNA)
where:
Base-Base interactions energy: -28.381
where: short stacking energy: -26.727
Base-Backbone interact. energy: -0.795
local terms energy: -62.404715
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -90.893829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.893829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.893829 (E_RNA)
where:
Base-Base interactions energy: -28.955
where: short stacking energy: -28.955
Base-Backbone interact. energy: -0.103
local terms energy: -61.835757
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -9.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -292.941012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.941012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.941012 (E_RNA)
where:
Base-Base interactions energy: -190.173
where: short stacking energy: -90.726
Base-Backbone interact. energy: -1.556
local terms energy: -101.212403
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -19.590
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -29.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -277.861647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.861647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.861647 (E_RNA)
where:
Base-Base interactions energy: -188.728
where: short stacking energy: -79.043
Base-Backbone interact. energy: -0.019
local terms energy: -89.114867
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -23.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -285.950836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.950836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.950836 (E_RNA)
where:
Base-Base interactions energy: -192.182
where: short stacking energy: -79.075
Base-Backbone interact. energy: -0.071
local terms energy: -93.697028
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -23.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -261.831018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.831018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.831018 (E_RNA)
where:
Base-Base interactions energy: -170.627
where: short stacking energy: -65.640
Base-Backbone interact. energy: -0.152
local terms energy: -91.051904
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: -22.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -221.030926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.030926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.030926 (E_RNA)
where:
Base-Base interactions energy: -143.360
where: short stacking energy: -64.826
Base-Backbone interact. energy: -0.010
local terms energy: -77.660764
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -243.422302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.422302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.422302 (E_RNA)
where:
Base-Base interactions energy: -166.487
where: short stacking energy: -69.975
Base-Backbone interact. energy: -0.049
local terms energy: -76.885568
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -198.825523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.825523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.825523 (E_RNA)
where:
Base-Base interactions energy: -118.886
where: short stacking energy: -60.140
Base-Backbone interact. energy: -0.038
local terms energy: -79.901966
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -12.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -99.248791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.248791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.248791 (E_RNA)
where:
Base-Base interactions energy: -29.685
where: short stacking energy: -29.885
Base-Backbone interact. energy: 0.004
local terms energy: -69.568672
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -9.166
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: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -91.024027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.024027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.024027 (E_RNA)
where:
Base-Base interactions energy: -25.456
where: short stacking energy: -22.683
Base-Backbone interact. energy: -0.480
local terms energy: -65.088133
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -6.303
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: 10, replica: 2
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -85.204782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.204782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.204782 (E_RNA)
where:
Base-Base interactions energy: -21.705
where: short stacking energy: -21.705
Base-Backbone interact. energy: -0.016
local terms energy: -63.483762
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -290.493648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.493648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.493648 (E_RNA)
where:
Base-Base interactions energy: -192.864
where: short stacking energy: -87.889
Base-Backbone interact. energy: -0.006
local terms energy: -97.623175
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -20.160
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -27.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -289.946356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.946356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.946356 (E_RNA)
where:
Base-Base interactions energy: -198.713
where: short stacking energy: -87.754
Base-Backbone interact. energy: -0.044
local terms energy: -91.189780
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -23.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -281.891633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.891633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.891633 (E_RNA)
where:
Base-Base interactions energy: -198.104
where: short stacking energy: -82.080
Base-Backbone interact. energy: -0.146
local terms energy: -83.642392
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -269.472025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.472025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.472025 (E_RNA)
where:
Base-Base interactions energy: -182.057
where: short stacking energy: -67.432
Base-Backbone interact. energy: 0.391
local terms energy: -87.806194
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -15.928
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: 5, replica: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -212.520297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.520297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.520297 (E_RNA)
where:
Base-Base interactions energy: -138.657
where: short stacking energy: -62.515
Base-Backbone interact. energy: -0.165
local terms energy: -73.698151
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -15.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -227.707251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.707251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.707251 (E_RNA)
where:
Base-Base interactions energy: -159.666
where: short stacking energy: -62.143
Base-Backbone interact. energy: -0.920
local terms energy: -67.121247
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -10.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -203.406364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.406364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.406364 (E_RNA)
where:
Base-Base interactions energy: -120.305
where: short stacking energy: -51.878
Base-Backbone interact. energy: -0.126
local terms energy: -82.974667
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -21.279
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -12.312
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: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -105.392374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.392374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.392374 (E_RNA)
where:
Base-Base interactions energy: -51.844
where: short stacking energy: -37.685
Base-Backbone interact. energy: -0.223
local terms energy: -53.325631
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -8.382
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: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -92.739349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.739349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.739349 (E_RNA)
where:
Base-Base interactions energy: -32.026
where: short stacking energy: -27.751
Base-Backbone interact. energy: -0.101
local terms energy: -60.612243
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -1.786
tors. eta vs tors. theta energy: -3.741
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: 2
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -86.149137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.149137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.149137 (E_RNA)
where:
Base-Base interactions energy: -30.264
where: short stacking energy: -21.978
Base-Backbone interact. energy: -0.166
local terms energy: -55.719363
where:
bonds (distance) C4'-P energy: -10.118
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -305.874697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.874697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.874697 (E_RNA)
where:
Base-Base interactions energy: -210.419
where: short stacking energy: -88.038
Base-Backbone interact. energy: -0.081
local terms energy: -95.373995
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -24.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -281.650627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.650627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.650627 (E_RNA)
where:
Base-Base interactions energy: -182.236
where: short stacking energy: -79.472
Base-Backbone interact. energy: -1.902
local terms energy: -97.512313
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -22.139
flat angles P-C4'-P energy: -14.399
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: 3, replica: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -278.473129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.473129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.473129 (E_RNA)
where:
Base-Base interactions energy: -195.326
where: short stacking energy: -76.897
Base-Backbone interact. energy: -0.024
local terms energy: -83.123618
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -22.751
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: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -254.620152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.620152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.620152 (E_RNA)
where:
Base-Base interactions energy: -172.604
where: short stacking energy: -62.829
Base-Backbone interact. energy: -0.067
local terms energy: -81.948950
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -22.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -239.903032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.903032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.903032 (E_RNA)
where:
Base-Base interactions energy: -154.162
where: short stacking energy: -68.035
Base-Backbone interact. energy: -0.209
local terms energy: -85.531931
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -20.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -215.337350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.337350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.337350 (E_RNA)
where:
Base-Base interactions energy: -140.368
where: short stacking energy: -67.255
Base-Backbone interact. energy: -0.005
local terms energy: -74.964522
where:
bonds (distance) C4'-P energy: -8.387
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -199.891682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.891682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.891682 (E_RNA)
where:
Base-Base interactions energy: -123.855
where: short stacking energy: -60.886
Base-Backbone interact. energy: -1.437
local terms energy: -74.599842
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -11.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -100.319971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.319971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.319971 (E_RNA)
where:
Base-Base interactions energy: -42.895
where: short stacking energy: -23.607
Base-Backbone interact. energy: 0.121
local terms energy: -57.545617
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -95.599420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.599420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.599420 (E_RNA)
where:
Base-Base interactions energy: -35.638
where: short stacking energy: -26.992
Base-Backbone interact. energy: -0.488
local terms energy: -59.473284
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: 3.093
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: 284
Temperature: 1.350000
Total energy: -93.742970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.742970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.742970 (E_RNA)
where:
Base-Base interactions energy: -31.375
where: short stacking energy: -29.022
Base-Backbone interact. energy: -0.197
local terms energy: -62.170876
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -4.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -287.216602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.216602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.216602 (E_RNA)
where:
Base-Base interactions energy: -190.917
where: short stacking energy: -85.330
Base-Backbone interact. energy: -0.030
local terms energy: -96.269333
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -23.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -291.701022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.701022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.701022 (E_RNA)
where:
Base-Base interactions energy: -195.225
where: short stacking energy: -86.740
Base-Backbone interact. energy: -1.430
local terms energy: -95.046005
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -25.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -294.382177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.382177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.382177 (E_RNA)
where:
Base-Base interactions energy: -204.309
where: short stacking energy: -84.988
Base-Backbone interact. energy: -0.044
local terms energy: -90.028831
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -26.642
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: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -246.546828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.546828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.546828 (E_RNA)
where:
Base-Base interactions energy: -162.370
where: short stacking energy: -74.059
Base-Backbone interact. energy: -0.222
local terms energy: -83.954427
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -20.730
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: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -260.867120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.867120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.867120 (E_RNA)
where:
Base-Base interactions energy: -179.419
where: short stacking energy: -67.802
Base-Backbone interact. energy: -0.166
local terms energy: -81.282097
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -20.904
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: 6, replica: 1
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -247.743024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.743024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.743024 (E_RNA)
where:
Base-Base interactions energy: -174.231
where: short stacking energy: -76.008
Base-Backbone interact. energy: -0.247
local terms energy: -73.265570
where:
bonds (distance) C4'-P energy: -10.316
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -21.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -213.144844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.144844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.144844 (E_RNA)
where:
Base-Base interactions energy: -142.444
where: short stacking energy: -61.294
Base-Backbone interact. energy: -1.303
local terms energy: -69.397286
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -100.566368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.566368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.566368 (E_RNA)
where:
Base-Base interactions energy: -35.709
where: short stacking energy: -21.435
Base-Backbone interact. energy: -0.080
local terms energy: -64.777443
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -98.022395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.022395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.022395 (E_RNA)
where:
Base-Base interactions energy: -41.679
where: short stacking energy: -37.350
Base-Backbone interact. energy: -0.128
local terms energy: -56.215002
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -89.918548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.918548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.918548 (E_RNA)
where:
Base-Base interactions energy: -29.226
where: short stacking energy: -25.477
Base-Backbone interact. energy: -0.573
local terms energy: -60.119293
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -8.297
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -294.600521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.600521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.600521 (E_RNA)
where:
Base-Base interactions energy: -196.333
where: short stacking energy: -81.350
Base-Backbone interact. energy: -0.137
local terms energy: -98.130517
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -25.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -279.526227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.526227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.526227 (E_RNA)
where:
Base-Base interactions energy: -183.598
where: short stacking energy: -79.960
Base-Backbone interact. energy: -0.131
local terms energy: -95.796819
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -26.921
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: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -292.526799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.526799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.526799 (E_RNA)
where:
Base-Base interactions energy: -202.152
where: short stacking energy: -85.673
Base-Backbone interact. energy: -0.105
local terms energy: -90.270561
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -27.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -227.174391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.174391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.174391 (E_RNA)
where:
Base-Base interactions energy: -143.691
where: short stacking energy: -62.314
Base-Backbone interact. energy: 0.027
local terms energy: -83.509839
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -17.141
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: 5, replica: 1
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -252.359987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.359987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.359987 (E_RNA)
where:
Base-Base interactions energy: -169.578
where: short stacking energy: -74.698
Base-Backbone interact. energy: -0.069
local terms energy: -82.713549
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -5.818
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: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -268.899623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.899623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.899623 (E_RNA)
where:
Base-Base interactions energy: -170.354
where: short stacking energy: -79.074
Base-Backbone interact. energy: -0.050
local terms energy: -98.496167
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -26.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -223.895162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.895162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.895162 (E_RNA)
where:
Base-Base interactions energy: -149.202
where: short stacking energy: -65.852
Base-Backbone interact. energy: -0.241
local terms energy: -74.452605
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -18.787
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -15.953
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: 2
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -102.441467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.441467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.441467 (E_RNA)
where:
Base-Base interactions energy: -34.864
where: short stacking energy: -34.422
Base-Backbone interact. energy: -0.126
local terms energy: -67.451590
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -102.551738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.551738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.551738 (E_RNA)
where:
Base-Base interactions energy: -48.613
where: short stacking energy: -29.055
Base-Backbone interact. energy: -0.083
local terms energy: -53.855224
where:
bonds (distance) C4'-P energy: -11.314
bonds (distance) P-C4' energy: -6.720
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -8.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -96.973634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.973634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.973634 (E_RNA)
where:
Base-Base interactions energy: -32.236
where: short stacking energy: -32.236
Base-Backbone interact. energy: -0.109
local terms energy: -64.629032
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -6.963
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: 10
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -292.566894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.566894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.566894 (E_RNA)
where:
Base-Base interactions energy: -198.699
where: short stacking energy: -85.985
Base-Backbone interact. energy: -0.005
local terms energy: -93.862539
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -20.936
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -21.423
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: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -289.334508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.334508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.334508 (E_RNA)
where:
Base-Base interactions energy: -193.160
where: short stacking energy: -77.902
Base-Backbone interact. energy: -0.174
local terms energy: -96.001076
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -14.643
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: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -287.038279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.038279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.038279 (E_RNA)
where:
Base-Base interactions energy: -197.437
where: short stacking energy: -87.095
Base-Backbone interact. energy: -0.129
local terms energy: -89.472057
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -26.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -276.135194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.135194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.135194 (E_RNA)
where:
Base-Base interactions energy: -194.135
where: short stacking energy: -85.179
Base-Backbone interact. energy: -0.185
local terms energy: -81.814985
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -21.879
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: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -216.464651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.464651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.464651 (E_RNA)
where:
Base-Base interactions energy: -136.602
where: short stacking energy: -59.122
Base-Backbone interact. energy: -0.014
local terms energy: -79.848722
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -21.730
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -13.056
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: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -273.719581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.719581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.719581 (E_RNA)
where:
Base-Base interactions energy: -186.537
where: short stacking energy: -81.934
Base-Backbone interact. energy: -0.033
local terms energy: -87.150294
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -22.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -211.058188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.058188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.058188 (E_RNA)
where:
Base-Base interactions energy: -130.431
where: short stacking energy: -61.504
Base-Backbone interact. energy: 2.854
local terms energy: -83.480517
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -94.178082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.178082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.178082 (E_RNA)
where:
Base-Base interactions energy: -28.386
where: short stacking energy: -27.685
Base-Backbone interact. energy: -0.306
local terms energy: -65.485884
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -94.232624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.232624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.232624 (E_RNA)
where:
Base-Base interactions energy: -31.414
where: short stacking energy: -31.414
Base-Backbone interact. energy: 0.854
local terms energy: -63.672265
where:
bonds (distance) C4'-P energy: -8.010
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -8.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -94.405066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.405066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.405066 (E_RNA)
where:
Base-Base interactions energy: -28.881
where: short stacking energy: -28.881
Base-Backbone interact. energy: -0.033
local terms energy: -65.491315
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -5.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -288.556665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.556665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.556665 (E_RNA)
where:
Base-Base interactions energy: -199.410
where: short stacking energy: -82.038
Base-Backbone interact. energy: -0.075
local terms energy: -89.070858
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -28.384
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: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -285.525822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.525822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.525822 (E_RNA)
where:
Base-Base interactions energy: -189.788
where: short stacking energy: -75.883
Base-Backbone interact. energy: -0.005
local terms energy: -95.733280
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -19.747
flat angles P-C4'-P energy: -15.658
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: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -284.203958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.203958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.203958 (E_RNA)
where:
Base-Base interactions energy: -198.512
where: short stacking energy: -89.200
Base-Backbone interact. energy: -0.454
local terms energy: -85.238477
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -25.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -260.174328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.174328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.174328 (E_RNA)
where:
Base-Base interactions energy: -171.474
where: short stacking energy: -74.894
Base-Backbone interact. energy: -0.136
local terms energy: -88.564214
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -23.084
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: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -269.005669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.005669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.005669 (E_RNA)
where:
Base-Base interactions energy: -186.272
where: short stacking energy: -74.736
Base-Backbone interact. energy: -0.066
local terms energy: -82.667260
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -26.723
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: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -225.417877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.417877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.417877 (E_RNA)
where:
Base-Base interactions energy: -142.664
where: short stacking energy: -63.786
Base-Backbone interact. energy: -0.703
local terms energy: -82.051208
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -19.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -200.213479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.213479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.213479 (E_RNA)
where:
Base-Base interactions energy: -138.249
where: short stacking energy: -54.673
Base-Backbone interact. energy: -0.232
local terms energy: -61.733087
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -7.467
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: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -95.964298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.964298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.964298 (E_RNA)
where:
Base-Base interactions energy: -33.747
where: short stacking energy: -33.423
Base-Backbone interact. energy: -0.273
local terms energy: -61.944085
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -100.012502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.012502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.012502 (E_RNA)
where:
Base-Base interactions energy: -34.382
where: short stacking energy: -30.230
Base-Backbone interact. energy: -0.772
local terms energy: -64.858403
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -94.702848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.702848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.702848 (E_RNA)
where:
Base-Base interactions energy: -37.489
where: short stacking energy: -37.489
Base-Backbone interact. energy: -0.080
local terms energy: -57.134671
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -293.007218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.007218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.007218 (E_RNA)
where:
Base-Base interactions energy: -201.802
where: short stacking energy: -94.066
Base-Backbone interact. energy: -0.074
local terms energy: -91.131380
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -28.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -287.602924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.602924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.602924 (E_RNA)
where:
Base-Base interactions energy: -202.640
where: short stacking energy: -85.239
Base-Backbone interact. energy: -0.147
local terms energy: -84.815996
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -13.501
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: 3, replica: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -277.797550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.797550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.797550 (E_RNA)
where:
Base-Base interactions energy: -187.810
where: short stacking energy: -82.333
Base-Backbone interact. energy: -0.001
local terms energy: -89.986711
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -15.326
tors. eta vs tors. theta energy: -27.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -272.312368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.312368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.312368 (E_RNA)
where:
Base-Base interactions energy: -187.820
where: short stacking energy: -84.985
Base-Backbone interact. energy: -0.037
local terms energy: -84.454403
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -25.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -262.116838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.116838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.116838 (E_RNA)
where:
Base-Base interactions energy: -183.599
where: short stacking energy: -72.205
Base-Backbone interact. energy: -0.047
local terms energy: -78.470781
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -207.429374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.429374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.429374 (E_RNA)
where:
Base-Base interactions energy: -126.332
where: short stacking energy: -58.826
Base-Backbone interact. energy: -1.243
local terms energy: -79.854323
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -9.198
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: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -205.931676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.931676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.931676 (E_RNA)
where:
Base-Base interactions energy: -139.524
where: short stacking energy: -61.220
Base-Backbone interact. energy: -0.962
local terms energy: -65.445469
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -11.185
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -104.754107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.754107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.754107 (E_RNA)
where:
Base-Base interactions energy: -33.769
where: short stacking energy: -33.638
Base-Backbone interact. energy: -0.982
local terms energy: -70.002626
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -97.596301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.596301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.596301 (E_RNA)
where:
Base-Base interactions energy: -51.434
where: short stacking energy: -28.527
Base-Backbone interact. energy: 1.717
local terms energy: -47.879443
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -3.641
tors. eta vs tors. theta energy: -0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -93.383623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.383623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.383623 (E_RNA)
where:
Base-Base interactions energy: -32.521
where: short stacking energy: -26.499
Base-Backbone interact. energy: 2.093
local terms energy: -62.955672
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -298.726667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.726667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.726667 (E_RNA)
where:
Base-Base interactions energy: -203.619
where: short stacking energy: -85.560
Base-Backbone interact. energy: -0.002
local terms energy: -95.106221
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -24.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -283.934393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.934393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.934393 (E_RNA)
where:
Base-Base interactions energy: -193.770
where: short stacking energy: -81.575
Base-Backbone interact. energy: -0.951
local terms energy: -89.213134
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -23.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -271.536007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.536007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.536007 (E_RNA)
where:
Base-Base interactions energy: -185.852
where: short stacking energy: -80.298
Base-Backbone interact. energy: -1.510
local terms energy: -84.173703
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -21.617
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: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -279.434019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.434019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.434019 (E_RNA)
where:
Base-Base interactions energy: -185.029
where: short stacking energy: -92.071
Base-Backbone interact. energy: -0.006
local terms energy: -94.398040
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -27.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -270.272157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.272157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.272157 (E_RNA)
where:
Base-Base interactions energy: -178.463
where: short stacking energy: -77.223
Base-Backbone interact. energy: -0.071
local terms energy: -91.738621
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -13.651
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: 6, replica: 4
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -205.877207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.877207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.877207 (E_RNA)
where:
Base-Base interactions energy: -136.761
where: short stacking energy: -53.585
Base-Backbone interact. energy: 0.072
local terms energy: -69.187670
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -205.029602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.029602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.029602 (E_RNA)
where:
Base-Base interactions energy: -126.782
where: short stacking energy: -48.941
Base-Backbone interact. energy: -0.370
local terms energy: -77.877284
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -13.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -102.079453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.079453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.079453 (E_RNA)
where:
Base-Base interactions energy: -42.968
where: short stacking energy: -38.549
Base-Backbone interact. energy: 1.067
local terms energy: -60.178519
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -11.625
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -7.383
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: 9, replica: 2
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -118.533715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.533715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.533715 (E_RNA)
where:
Base-Base interactions energy: -53.112
where: short stacking energy: -37.002
Base-Backbone interact. energy: -0.023
local terms energy: -65.398056
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -7.067
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: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -100.093218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.093218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.093218 (E_RNA)
where:
Base-Base interactions energy: -37.583
where: short stacking energy: -33.291
Base-Backbone interact. energy: -0.070
local terms energy: -62.440314
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -1.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -297.471457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.471457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.471457 (E_RNA)
where:
Base-Base interactions energy: -205.402
where: short stacking energy: -85.792
Base-Backbone interact. energy: -0.066
local terms energy: -92.002842
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -23.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -290.746080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.746080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.746080 (E_RNA)
where:
Base-Base interactions energy: -197.912
where: short stacking energy: -90.294
Base-Backbone interact. energy: -0.436
local terms energy: -92.398627
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -27.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -281.608378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.608378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.608378 (E_RNA)
where:
Base-Base interactions energy: -182.799
where: short stacking energy: -86.924
Base-Backbone interact. energy: -2.247
local terms energy: -96.562289
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -28.133
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: 1
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -290.752485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.752485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.752485 (E_RNA)
where:
Base-Base interactions energy: -196.075
where: short stacking energy: -82.632
Base-Backbone interact. energy: -0.610
local terms energy: -94.066998
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -21.396
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -23.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -272.062250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.062250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.062250 (E_RNA)
where:
Base-Base interactions energy: -179.486
where: short stacking energy: -77.525
Base-Backbone interact. energy: -0.072
local terms energy: -92.504262
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -15.948
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: 6, replica: 8
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -213.852938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.852938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.852938 (E_RNA)
where:
Base-Base interactions energy: -146.953
where: short stacking energy: -54.246
Base-Backbone interact. energy: -0.183
local terms energy: -66.716014
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -4.141
tors. eta vs tors. theta energy: -10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -218.638941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.638941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.638941 (E_RNA)
where:
Base-Base interactions energy: -146.120
where: short stacking energy: -69.349
Base-Backbone interact. energy: -0.581
local terms energy: -71.937817
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -9.904
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -16.100
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: 2
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -117.317239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.317239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.317239 (E_RNA)
where:
Base-Base interactions energy: -62.885
where: short stacking energy: -34.175
Base-Backbone interact. energy: 2.317
local terms energy: -56.749334
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -5.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -99.470083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.470083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.470083 (E_RNA)
where:
Base-Base interactions energy: -38.354
where: short stacking energy: -28.306
Base-Backbone interact. energy: -0.051
local terms energy: -61.065197
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -8.141
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -111.842580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.842580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.842580 (E_RNA)
where:
Base-Base interactions energy: -47.553
where: short stacking energy: -37.556
Base-Backbone interact. energy: -0.188
local terms energy: -64.102177
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -10.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -300.893370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.893370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.893370 (E_RNA)
where:
Base-Base interactions energy: -206.782
where: short stacking energy: -94.840
Base-Backbone interact. energy: -0.073
local terms energy: -94.037811
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -28.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -288.623348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.623348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.623348 (E_RNA)
where:
Base-Base interactions energy: -192.770
where: short stacking energy: -85.763
Base-Backbone interact. energy: -0.149
local terms energy: -95.704633
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -27.681
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: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -282.352670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.352670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.352670 (E_RNA)
where:
Base-Base interactions energy: -197.101
where: short stacking energy: -86.334
Base-Backbone interact. energy: -0.093
local terms energy: -85.157862
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -23.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -279.819126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.819126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.819126 (E_RNA)
where:
Base-Base interactions energy: -186.280
where: short stacking energy: -75.239
Base-Backbone interact. energy: -0.030
local terms energy: -93.509192
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -22.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -225.942407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.942407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.942407 (E_RNA)
where:
Base-Base interactions energy: -147.381
where: short stacking energy: -60.430
Base-Backbone interact. energy: -0.731
local terms energy: -77.829924
where:
bonds (distance) C4'-P energy: -18.803
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -18.260
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: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -237.160906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.160906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.160906 (E_RNA)
where:
Base-Base interactions energy: -157.700
where: short stacking energy: -72.200
Base-Backbone interact. energy: -0.313
local terms energy: -79.147430
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -22.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -206.934113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.934113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.934113 (E_RNA)
where:
Base-Base interactions energy: -138.360
where: short stacking energy: -60.826
Base-Backbone interact. energy: 1.170
local terms energy: -69.744204
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -18.711
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -15.391
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: 2
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -97.711516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.711516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.711516 (E_RNA)
where:
Base-Base interactions energy: -29.526
where: short stacking energy: -30.026
Base-Backbone interact. energy: -0.054
local terms energy: -68.131276
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -102.395134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.395134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.395134 (E_RNA)
where:
Base-Base interactions energy: -57.499
where: short stacking energy: -31.533
Base-Backbone interact. energy: -1.415
local terms energy: -43.480488
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -4.267
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -88.224438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.224438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.224438 (E_RNA)
where:
Base-Base interactions energy: -35.663
where: short stacking energy: -21.015
Base-Backbone interact. energy: -0.623
local terms energy: -51.937761
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: 1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -306.069448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.069448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.069448 (E_RNA)
where:
Base-Base interactions energy: -211.705
where: short stacking energy: -89.823
Base-Backbone interact. energy: -0.101
local terms energy: -94.263074
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -13.599
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: 2, replica: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -284.583421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.583421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.583421 (E_RNA)
where:
Base-Base interactions energy: -190.592
where: short stacking energy: -79.762
Base-Backbone interact. energy: -0.054
local terms energy: -93.937980
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -23.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -289.252148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.252148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.252148 (E_RNA)
where:
Base-Base interactions energy: -183.264
where: short stacking energy: -85.490
Base-Backbone interact. energy: -1.124
local terms energy: -104.863745
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -16.764
tors. eta vs tors. theta energy: -30.246
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: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -271.450505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.450505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.450505 (E_RNA)
where:
Base-Base interactions energy: -187.458
where: short stacking energy: -82.988
Base-Backbone interact. energy: -0.004
local terms energy: -83.988224
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -21.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -215.855022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.855022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.855022 (E_RNA)
where:
Base-Base interactions energy: -139.386
where: short stacking energy: -58.594
Base-Backbone interact. energy: -0.157
local terms energy: -76.311532
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -12.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -256.926623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.926623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.926623 (E_RNA)
where:
Base-Base interactions energy: -175.820
where: short stacking energy: -77.060
Base-Backbone interact. energy: -0.287
local terms energy: -80.819369
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -21.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -205.085376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.085376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.085376 (E_RNA)
where:
Base-Base interactions energy: -133.149
where: short stacking energy: -57.379
Base-Backbone interact. energy: -0.106
local terms energy: -71.829580
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -15.658
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: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -91.119339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.119339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.119339 (E_RNA)
where:
Base-Base interactions energy: -27.865
where: short stacking energy: -28.365
Base-Backbone interact. energy: -0.143
local terms energy: -63.111379
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -19.635
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -92.980105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.980105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.980105 (E_RNA)
where:
Base-Base interactions energy: -32.980
where: short stacking energy: -30.076
Base-Backbone interact. energy: 0.080
local terms energy: -60.080023
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -86.223787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.223787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.223787 (E_RNA)
where:
Base-Base interactions energy: -36.291
where: short stacking energy: -24.498
Base-Backbone interact. energy: -0.293
local terms energy: -49.639845
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: 0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -304.351481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.351481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.351481 (E_RNA)
where:
Base-Base interactions energy: -209.125
where: short stacking energy: -86.235
Base-Backbone interact. energy: -0.094
local terms energy: -95.132503
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -26.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -291.134299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.134299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.134299 (E_RNA)
where:
Base-Base interactions energy: -195.808
where: short stacking energy: -88.127
Base-Backbone interact. energy: -0.178
local terms energy: -95.148694
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -21.621
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -26.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -281.038933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.038933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.038933 (E_RNA)
where:
Base-Base interactions energy: -198.665
where: short stacking energy: -84.688
Base-Backbone interact. energy: 1.761
local terms energy: -84.134579
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -22.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -275.769843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.769843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.769843 (E_RNA)
where:
Base-Base interactions energy: -198.531
where: short stacking energy: -82.624
Base-Backbone interact. energy: -0.125
local terms energy: -77.114217
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -24.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -267.147600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.147600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.147600 (E_RNA)
where:
Base-Base interactions energy: -186.330
where: short stacking energy: -90.106
Base-Backbone interact. energy: 2.396
local terms energy: -83.213716
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -26.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -222.590681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.590681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.590681 (E_RNA)
where:
Base-Base interactions energy: -139.447
where: short stacking energy: -68.934
Base-Backbone interact. energy: -0.319
local terms energy: -82.824628
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -19.317
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: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -213.593174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.593174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.593174 (E_RNA)
where:
Base-Base interactions energy: -131.285
where: short stacking energy: -57.291
Base-Backbone interact. energy: 0.892
local terms energy: -83.200382
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -103.799638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.799638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.799638 (E_RNA)
where:
Base-Base interactions energy: -37.845
where: short stacking energy: -37.845
Base-Backbone interact. energy: -0.175
local terms energy: -65.779471
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -6.371
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: 9, replica: 2
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -122.609937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.609937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.609937 (E_RNA)
where:
Base-Base interactions energy: -66.770
where: short stacking energy: -28.535
Base-Backbone interact. energy: 0.339
local terms energy: -56.178388
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -92.379346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.379346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.379346 (E_RNA)
where:
Base-Base interactions energy: -38.195
where: short stacking energy: -25.238
Base-Backbone interact. energy: -0.139
local terms energy: -54.044692
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -0.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -288.550313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.550313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.550313 (E_RNA)
where:
Base-Base interactions energy: -198.179
where: short stacking energy: -84.349
Base-Backbone interact. energy: -0.083
local terms energy: -90.288455
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -20.771
flat angles P-C4'-P energy: -10.159
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: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -292.161721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.161721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.161721 (E_RNA)
where:
Base-Base interactions energy: -204.387
where: short stacking energy: -81.297
Base-Backbone interact. energy: -0.111
local terms energy: -87.663273
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -22.723
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: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -274.155492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.155492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.155492 (E_RNA)
where:
Base-Base interactions energy: -188.697
where: short stacking energy: -80.548
Base-Backbone interact. energy: -0.009
local terms energy: -85.449700
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -22.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -283.495625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.495625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.495625 (E_RNA)
where:
Base-Base interactions energy: -193.505
where: short stacking energy: -81.216
Base-Backbone interact. energy: -0.045
local terms energy: -89.945920
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -25.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -257.950796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.950796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.950796 (E_RNA)
where:
Base-Base interactions energy: -176.513
where: short stacking energy: -71.548
Base-Backbone interact. energy: -0.212
local terms energy: -81.225669
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -18.044
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: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -221.837552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.837552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.837552 (E_RNA)
where:
Base-Base interactions energy: -139.148
where: short stacking energy: -59.300
Base-Backbone interact. energy: -0.103
local terms energy: -82.586094
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -16.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -212.606103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.606103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.606103 (E_RNA)
where:
Base-Base interactions energy: -126.844
where: short stacking energy: -59.872
Base-Backbone interact. energy: -0.094
local terms energy: -85.667593
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -19.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -104.483408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.483408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.483408 (E_RNA)
where:
Base-Base interactions energy: -36.314
where: short stacking energy: -21.639
Base-Backbone interact. energy: 1.081
local terms energy: -69.250211
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -97.252959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.252959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.252959 (E_RNA)
where:
Base-Base interactions energy: -33.094
where: short stacking energy: -33.094
Base-Backbone interact. energy: -0.222
local terms energy: -63.936262
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -5.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -91.666591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.666591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.666591 (E_RNA)
where:
Base-Base interactions energy: -25.407
where: short stacking energy: -17.445
Base-Backbone interact. energy: -0.678
local terms energy: -65.581321
where:
bonds (distance) C4'-P energy: -19.016
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -11.285
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: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -291.872359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.872359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.872359 (E_RNA)
where:
Base-Base interactions energy: -195.366
where: short stacking energy: -93.779
Base-Backbone interact. energy: -0.604
local terms energy: -95.901658
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -21.398
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -27.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -286.978364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.978364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.978364 (E_RNA)
where:
Base-Base interactions energy: -197.763
where: short stacking energy: -82.935
Base-Backbone interact. energy: -0.051
local terms energy: -89.163969
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -21.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -287.678605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.678605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.678605 (E_RNA)
where:
Base-Base interactions energy: -192.248
where: short stacking energy: -84.461
Base-Backbone interact. energy: -0.112
local terms energy: -95.319301
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -22.904
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: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -276.932428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.932428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.932428 (E_RNA)
where:
Base-Base interactions energy: -193.769
where: short stacking energy: -84.366
Base-Backbone interact. energy: 1.487
local terms energy: -84.651123
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -25.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -214.376207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.376207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.376207 (E_RNA)
where:
Base-Base interactions energy: -133.132
where: short stacking energy: -58.224
Base-Backbone interact. energy: 1.543
local terms energy: -82.787201
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -19.896
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -10.931
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: 6, replica: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -261.435206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.435206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.435206 (E_RNA)
where:
Base-Base interactions energy: -176.588
where: short stacking energy: -67.517
Base-Backbone interact. energy: -0.223
local terms energy: -84.624336
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -19.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -208.358564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.358564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.358564 (E_RNA)
where:
Base-Base interactions energy: -129.764
where: short stacking energy: -54.009
Base-Backbone interact. energy: 0.441
local terms energy: -79.035922
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -13.318
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: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -93.270812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.270812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.270812 (E_RNA)
where:
Base-Base interactions energy: -36.908
where: short stacking energy: -32.409
Base-Backbone interact. energy: 0.156
local terms energy: -56.518444
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -2.311
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: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -98.278112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.278112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.278112 (E_RNA)
where:
Base-Base interactions energy: -52.461
where: short stacking energy: -26.500
Base-Backbone interact. energy: -1.068
local terms energy: -44.748795
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -5.844
tors. eta vs tors. theta energy: 0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -93.913528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.913528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.913528 (E_RNA)
where:
Base-Base interactions energy: -38.269
where: short stacking energy: -33.690
Base-Backbone interact. energy: -0.282
local terms energy: -55.362157
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -2.489
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: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -279.292562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.292562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.292562 (E_RNA)
where:
Base-Base interactions energy: -191.564
where: short stacking energy: -84.851
Base-Backbone interact. energy: 0.119
local terms energy: -87.847516
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -23.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -290.393928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.393928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.393928 (E_RNA)
where:
Base-Base interactions energy: -202.259
where: short stacking energy: -88.203
Base-Backbone interact. energy: -0.042
local terms energy: -88.092504
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -25.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -292.466258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.466258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.466258 (E_RNA)
where:
Base-Base interactions energy: -197.471
where: short stacking energy: -87.776
Base-Backbone interact. energy: -0.129
local terms energy: -94.866417
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -20.070
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -26.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -269.504902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.504902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.504902 (E_RNA)
where:
Base-Base interactions energy: -177.600
where: short stacking energy: -77.955
Base-Backbone interact. energy: -0.119
local terms energy: -91.786087
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -25.818
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: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -220.897518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.897518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.897518 (E_RNA)
where:
Base-Base interactions energy: -142.114
where: short stacking energy: -60.064
Base-Backbone interact. energy: 0.938
local terms energy: -79.721973
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -16.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -269.195845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.195845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.195845 (E_RNA)
where:
Base-Base interactions energy: -175.428
where: short stacking energy: -77.313
Base-Backbone interact. energy: -0.003
local terms energy: -93.765543
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -27.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -188.730016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.730016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.730016 (E_RNA)
where:
Base-Base interactions energy: -113.018
where: short stacking energy: -51.816
Base-Backbone interact. energy: -0.548
local terms energy: -75.164384
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -8.819
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: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -91.537180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.537180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.537180 (E_RNA)
where:
Base-Base interactions energy: -36.053
where: short stacking energy: -32.424
Base-Backbone interact. energy: -0.460
local terms energy: -55.024095
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -4.448
tors. eta vs tors. theta energy: -2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -96.767679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.767679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.767679 (E_RNA)
where:
Base-Base interactions energy: -32.534
where: short stacking energy: -28.323
Base-Backbone interact. energy: -0.121
local terms energy: -64.112234
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -6.206
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: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -113.369183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.369183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.369183 (E_RNA)
where:
Base-Base interactions energy: -53.804
where: short stacking energy: -29.087
Base-Backbone interact. energy: -0.283
local terms energy: -59.281528
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -8.279
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: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -299.940844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.940844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.940844 (E_RNA)
where:
Base-Base interactions energy: -205.023
where: short stacking energy: -91.394
Base-Backbone interact. energy: -0.064
local terms energy: -94.854068
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -27.030
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: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -292.106738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.106738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.106738 (E_RNA)
where:
Base-Base interactions energy: -193.183
where: short stacking energy: -82.391
Base-Backbone interact. energy: -0.282
local terms energy: -98.642277
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -21.417
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -25.374
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: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -265.517514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.517514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.517514 (E_RNA)
where:
Base-Base interactions energy: -182.790
where: short stacking energy: -73.369
Base-Backbone interact. energy: -0.396
local terms energy: -82.332356
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -20.181
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: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -278.576176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.576176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.576176 (E_RNA)
where:
Base-Base interactions energy: -193.185
where: short stacking energy: -79.933
Base-Backbone interact. energy: -0.013
local terms energy: -85.378690
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -22.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -266.540096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.540096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.540096 (E_RNA)
where:
Base-Base interactions energy: -180.920
where: short stacking energy: -78.444
Base-Backbone interact. energy: 0.125
local terms energy: -85.744534
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -16.742
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: 6, replica: 4
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -217.866180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.866180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.866180 (E_RNA)
where:
Base-Base interactions energy: -144.318
where: short stacking energy: -72.360
Base-Backbone interact. energy: 1.136
local terms energy: -74.683586
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -20.960
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -193.858686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.858686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.858686 (E_RNA)
where:
Base-Base interactions energy: -116.626
where: short stacking energy: -54.508
Base-Backbone interact. energy: -0.140
local terms energy: -77.092361
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -16.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -106.050953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.050953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.050953 (E_RNA)
where:
Base-Base interactions energy: -43.430
where: short stacking energy: -32.637
Base-Backbone interact. energy: -0.185
local terms energy: -62.435885
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -2.322
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: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -95.895975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.895975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.895975 (E_RNA)
where:
Base-Base interactions energy: -37.945
where: short stacking energy: -22.275
Base-Backbone interact. energy: -0.159
local terms energy: -57.791532
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: 2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -102.883755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.883755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.883755 (E_RNA)
where:
Base-Base interactions energy: -39.286
where: short stacking energy: -39.286
Base-Backbone interact. energy: -0.189
local terms energy: -63.409105
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -5.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -300.928642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.928642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.928642 (E_RNA)
where:
Base-Base interactions energy: -208.125
where: short stacking energy: -88.118
Base-Backbone interact. energy: -0.097
local terms energy: -92.707066
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -26.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -283.197076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.197076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.197076 (E_RNA)
where:
Base-Base interactions energy: -188.026
where: short stacking energy: -72.123
Base-Backbone interact. energy: -0.165
local terms energy: -95.006314
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -21.781
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -21.750
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: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -276.558735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.558735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.558735 (E_RNA)
where:
Base-Base interactions energy: -177.526
where: short stacking energy: -83.315
Base-Backbone interact. energy: -0.547
local terms energy: -98.485853
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -20.785
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -26.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -288.171773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.171773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.171773 (E_RNA)
where:
Base-Base interactions energy: -191.947
where: short stacking energy: -82.816
Base-Backbone interact. energy: -0.275
local terms energy: -95.949769
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -18.405
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -24.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -273.175176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.175176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.175176 (E_RNA)
where:
Base-Base interactions energy: -192.599
where: short stacking energy: -82.198
Base-Backbone interact. energy: 0.413
local terms energy: -80.989714
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -23.093
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -22.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -213.084400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.084400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.084400 (E_RNA)
where:
Base-Base interactions energy: -139.604
where: short stacking energy: -65.071
Base-Backbone interact. energy: -0.099
local terms energy: -73.381801
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -1.661
tors. eta vs tors. theta energy: -18.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -206.955575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.955575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.955575 (E_RNA)
where:
Base-Base interactions energy: -124.283
where: short stacking energy: -65.979
Base-Backbone interact. energy: -0.026
local terms energy: -82.646420
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -14.278
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: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -107.097706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.097706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.097706 (E_RNA)
where:
Base-Base interactions energy: -43.019
where: short stacking energy: -24.906
Base-Backbone interact. energy: -2.072
local terms energy: -62.006387
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: 1.190
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: 299
Temperature: 1.300000
Total energy: -99.050006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.050006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.050006 (E_RNA)
where:
Base-Base interactions energy: -47.770
where: short stacking energy: -27.412
Base-Backbone interact. energy: -0.058
local terms energy: -51.222498
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -11.100
flat angles C4'-P-C4' energy: -18.246
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -0.226
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: 10, replica: 2
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -80.757440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.757440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.757440 (E_RNA)
where:
Base-Base interactions energy: -26.575
where: short stacking energy: -25.210
Base-Backbone interact. energy: -0.333
local terms energy: -53.849793
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: 1.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -298.456844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.456844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.456844 (E_RNA)
where:
Base-Base interactions energy: -204.398
where: short stacking energy: -88.406
Base-Backbone interact. energy: -0.123
local terms energy: -93.936551
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -26.451
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: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -285.302803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.302803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.302803 (E_RNA)
where:
Base-Base interactions energy: -193.727
where: short stacking energy: -79.699
Base-Backbone interact. energy: -0.137
local terms energy: -91.438265
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -20.386
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: 300
Temperature: 1.000000
Total energy: -277.518831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.518831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.518831 (E_RNA)
where:
Base-Base interactions energy: -183.671
where: short stacking energy: -83.473
Base-Backbone interact. energy: -0.215
local terms energy: -93.632473
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -22.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -274.616327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.616327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.616327 (E_RNA)
where:
Base-Base interactions energy: -189.790
where: short stacking energy: -89.554
Base-Backbone interact. energy: 3.646
local terms energy: -88.472234
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -25.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -263.056434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.056434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.056434 (E_RNA)
where:
Base-Base interactions energy: -169.441
where: short stacking energy: -73.178
Base-Backbone interact. energy: -0.105
local terms energy: -93.510596
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -23.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -206.172110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.172110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.172110 (E_RNA)
where:
Base-Base interactions energy: -132.144
where: short stacking energy: -57.316
Base-Backbone interact. energy: -0.902
local terms energy: -73.126214
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -16.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -208.376699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.376699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.376699 (E_RNA)
where:
Base-Base interactions energy: -135.587
where: short stacking energy: -56.390
Base-Backbone interact. energy: -0.086
local terms energy: -72.703623
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -17.939
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: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -95.718930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.718930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.718930 (E_RNA)
where:
Base-Base interactions energy: -36.069
where: short stacking energy: -25.233
Base-Backbone interact. energy: -0.381
local terms energy: -59.269071
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -95.328723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.328723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.328723 (E_RNA)
where:
Base-Base interactions energy: -35.368
where: short stacking energy: -27.899
Base-Backbone interact. energy: -0.331
local terms energy: -59.629367
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -93.279658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.279658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.279658 (E_RNA)
where:
Base-Base interactions energy: -38.765
where: short stacking energy: -32.701
Base-Backbone interact. energy: -0.116
local terms energy: -54.398084
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -9.302
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -300.302873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.302873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.302873 (E_RNA)
where:
Base-Base interactions energy: -201.244
where: short stacking energy: -80.733
Base-Backbone interact. energy: -0.033
local terms energy: -99.026521
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -17.312
tors. eta vs tors. theta energy: -25.810
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: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -297.946178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.946178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.946178 (E_RNA)
where:
Base-Base interactions energy: -203.818
where: short stacking energy: -89.222
Base-Backbone interact. energy: -0.104
local terms energy: -94.024178
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -22.114
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -25.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -289.796519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.796519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.796519 (E_RNA)
where:
Base-Base interactions energy: -196.732
where: short stacking energy: -76.210
Base-Backbone interact. energy: -0.185
local terms energy: -92.880356
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -23.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -280.481814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.481814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.481814 (E_RNA)
where:
Base-Base interactions energy: -189.550
where: short stacking energy: -83.552
Base-Backbone interact. energy: -0.120
local terms energy: -90.811737
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -10.626
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: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -245.398205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.398205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.398205 (E_RNA)
where:
Base-Base interactions energy: -155.659
where: short stacking energy: -73.646
Base-Backbone interact. energy: -0.008
local terms energy: -89.730673
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -22.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -229.088331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.088331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.088331 (E_RNA)
where:
Base-Base interactions energy: -142.738
where: short stacking energy: -74.202
Base-Backbone interact. energy: -0.094
local terms energy: -86.256468
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -22.829
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: 301
Temperature: 1.200000
Total energy: -197.809857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.809857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.809857 (E_RNA)
where:
Base-Base interactions energy: -126.476
where: short stacking energy: -52.772
Base-Backbone interact. energy: -0.078
local terms energy: -71.256309
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -92.115758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.115758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.115758 (E_RNA)
where:
Base-Base interactions energy: -34.789
where: short stacking energy: -26.968
Base-Backbone interact. energy: -1.246
local terms energy: -56.080889
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: 1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -91.906841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.906841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.906841 (E_RNA)
where:
Base-Base interactions energy: -35.328
where: short stacking energy: -15.141
Base-Backbone interact. energy: -0.967
local terms energy: -55.611525
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: 1.887
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: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -87.173712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.173712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.173712 (E_RNA)
where:
Base-Base interactions energy: -26.132
where: short stacking energy: -25.477
Base-Backbone interact. energy: -0.131
local terms energy: -60.910874
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -0.677
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: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -298.306130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.306130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.306130 (E_RNA)
where:
Base-Base interactions energy: -207.920
where: short stacking energy: -92.700
Base-Backbone interact. energy: 0.571
local terms energy: -90.956812
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -24.691
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: 302
Temperature: 0.950000
Total energy: -292.525833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.525833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.525833 (E_RNA)
where:
Base-Base interactions energy: -201.274
where: short stacking energy: -82.304
Base-Backbone interact. energy: -0.301
local terms energy: -90.950868
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -21.687
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -23.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -276.876120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.876120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.876120 (E_RNA)
where:
Base-Base interactions energy: -176.070
where: short stacking energy: -83.167
Base-Backbone interact. energy: -0.011
local terms energy: -100.795051
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -26.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -272.665542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.665542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.665542 (E_RNA)
where:
Base-Base interactions energy: -184.455
where: short stacking energy: -80.988
Base-Backbone interact. energy: -0.090
local terms energy: -88.120287
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -25.145
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: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -270.240884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.240884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.240884 (E_RNA)
where:
Base-Base interactions energy: -187.903
where: short stacking energy: -78.575
Base-Backbone interact. energy: -0.200
local terms energy: -82.137675
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -21.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -218.407623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.407623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.407623 (E_RNA)
where:
Base-Base interactions energy: -134.820
where: short stacking energy: -64.837
Base-Backbone interact. energy: -0.228
local terms energy: -83.358924
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -21.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -200.506933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.506933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.506933 (E_RNA)
where:
Base-Base interactions energy: -122.140
where: short stacking energy: -56.124
Base-Backbone interact. energy: -0.177
local terms energy: -78.190070
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -12.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -108.630441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.630441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.630441 (E_RNA)
where:
Base-Base interactions energy: -51.202
where: short stacking energy: -35.903
Base-Backbone interact. energy: 0.392
local terms energy: -57.820322
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -6.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -97.571867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.571867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.571867 (E_RNA)
where:
Base-Base interactions energy: -40.266
where: short stacking energy: -32.729
Base-Backbone interact. energy: -0.224
local terms energy: -57.081769
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -95.604388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.604388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.604388 (E_RNA)
where:
Base-Base interactions energy: -37.634
where: short stacking energy: -35.249
Base-Backbone interact. energy: 1.570
local terms energy: -59.539957
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -5.597
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: 10
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -304.920449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.920449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.920449 (E_RNA)
where:
Base-Base interactions energy: -211.952
where: short stacking energy: -86.097
Base-Backbone interact. energy: -0.044
local terms energy: -92.924296
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -27.633
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: 2, replica: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -284.605445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.605445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.605445 (E_RNA)
where:
Base-Base interactions energy: -182.216
where: short stacking energy: -84.023
Base-Backbone interact. energy: -0.241
local terms energy: -102.149190
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -21.830
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -28.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -285.727564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.727564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.727564 (E_RNA)
where:
Base-Base interactions energy: -198.351
where: short stacking energy: -88.250
Base-Backbone interact. energy: -0.016
local terms energy: -87.360813
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -23.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -276.483038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.483038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.483038 (E_RNA)
where:
Base-Base interactions energy: -189.116
where: short stacking energy: -85.479
Base-Backbone interact. energy: -0.039
local terms energy: -87.327262
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -25.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -271.042438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.042438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.042438 (E_RNA)
where:
Base-Base interactions energy: -179.562
where: short stacking energy: -78.095
Base-Backbone interact. energy: -0.094
local terms energy: -91.385818
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -23.862
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: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -213.284605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.284605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.284605 (E_RNA)
where:
Base-Base interactions energy: -145.070
where: short stacking energy: -64.904
Base-Backbone interact. energy: 0.058
local terms energy: -68.271972
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -12.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -226.773467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.773467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.773467 (E_RNA)
where:
Base-Base interactions energy: -150.678
where: short stacking energy: -61.164
Base-Backbone interact. energy: -0.738
local terms energy: -75.358224
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -21.425
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: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -99.441451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.441451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.441451 (E_RNA)
where:
Base-Base interactions energy: -40.169
where: short stacking energy: -35.023
Base-Backbone interact. energy: 0.552
local terms energy: -59.824351
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -6.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -99.064754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.064754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.064754 (E_RNA)
where:
Base-Base interactions energy: -33.431
where: short stacking energy: -30.979
Base-Backbone interact. energy: -0.154
local terms energy: -65.480085
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: 2.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -85.101721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.101721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.101721 (E_RNA)
where:
Base-Base interactions energy: -26.732
where: short stacking energy: -26.732
Base-Backbone interact. energy: 0.901
local terms energy: -59.270916
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -4.902
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: 1, replica: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -304.502662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.502662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.502662 (E_RNA)
where:
Base-Base interactions energy: -211.527
where: short stacking energy: -88.495
Base-Backbone interact. energy: 0.102
local terms energy: -93.078028
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -27.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -288.674441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.674441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.674441 (E_RNA)
where:
Base-Base interactions energy: -189.698
where: short stacking energy: -87.690
Base-Backbone interact. energy: -0.185
local terms energy: -98.791475
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -14.268
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: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -286.400801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.400801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.400801 (E_RNA)
where:
Base-Base interactions energy: -194.605
where: short stacking energy: -79.650
Base-Backbone interact. energy: -0.067
local terms energy: -91.728959
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -27.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -270.900800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.900800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.900800 (E_RNA)
where:
Base-Base interactions energy: -181.058
where: short stacking energy: -74.099
Base-Backbone interact. energy: -0.239
local terms energy: -89.604717
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -21.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -267.887490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.887490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.887490 (E_RNA)
where:
Base-Base interactions energy: -181.383
where: short stacking energy: -77.451
Base-Backbone interact. energy: -0.114
local terms energy: -86.389979
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -21.152
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -22.543
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: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -230.556432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.556432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.556432 (E_RNA)
where:
Base-Base interactions energy: -139.761
where: short stacking energy: -64.069
Base-Backbone interact. energy: -1.008
local terms energy: -89.787986
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -21.335
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -218.408621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.408621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.408621 (E_RNA)
where:
Base-Base interactions energy: -149.977
where: short stacking energy: -65.466
Base-Backbone interact. energy: -0.302
local terms energy: -68.129349
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -8.072
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -15.167
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: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -108.671059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.671059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.671059 (E_RNA)
where:
Base-Base interactions energy: -54.115
where: short stacking energy: -43.346
Base-Backbone interact. energy: -0.230
local terms energy: -54.326707
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -90.139804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.139804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.139804 (E_RNA)
where:
Base-Base interactions energy: -26.371
where: short stacking energy: -24.026
Base-Backbone interact. energy: -0.082
local terms energy: -63.687098
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -4.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -94.430617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.430617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.430617 (E_RNA)
where:
Base-Base interactions energy: -35.809
where: short stacking energy: -30.887
Base-Backbone interact. energy: -1.065
local terms energy: -57.556791
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -0.790
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -295.385740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.385740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.385740 (E_RNA)
where:
Base-Base interactions energy: -202.835
where: short stacking energy: -83.564
Base-Backbone interact. energy: -0.010
local terms energy: -92.540284
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -26.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -293.045567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.045567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.045567 (E_RNA)
where:
Base-Base interactions energy: -196.350
where: short stacking energy: -88.266
Base-Backbone interact. energy: -0.092
local terms energy: -96.604375
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: -28.832
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: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -276.977545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.977545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.977545 (E_RNA)
where:
Base-Base interactions energy: -193.161
where: short stacking energy: -87.374
Base-Backbone interact. energy: -0.091
local terms energy: -83.725426
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -10.175
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: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -274.807447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.807447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.807447 (E_RNA)
where:
Base-Base interactions energy: -193.570
where: short stacking energy: -82.842
Base-Backbone interact. energy: -0.074
local terms energy: -81.163703
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -22.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -263.403794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.403794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.403794 (E_RNA)
where:
Base-Base interactions energy: -178.433
where: short stacking energy: -81.871
Base-Backbone interact. energy: -0.563
local terms energy: -84.407822
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -22.455
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: 6, replica: 4
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -217.981056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.981056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.981056 (E_RNA)
where:
Base-Base interactions energy: -137.473
where: short stacking energy: -63.552
Base-Backbone interact. energy: 0.071
local terms energy: -80.578478
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -15.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -209.937507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.937507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.937507 (E_RNA)
where:
Base-Base interactions energy: -137.331
where: short stacking energy: -58.248
Base-Backbone interact. energy: -0.529
local terms energy: -72.077400
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -18.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -95.357732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.357732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.357732 (E_RNA)
where:
Base-Base interactions energy: -33.999
where: short stacking energy: -33.999
Base-Backbone interact. energy: -0.061
local terms energy: -61.297661
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -0.139
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: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -88.635987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.635987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.635987 (E_RNA)
where:
Base-Base interactions energy: -26.643
where: short stacking energy: -26.643
Base-Backbone interact. energy: -1.037
local terms energy: -60.955921
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -4.333
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: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -89.631602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.631602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.631602 (E_RNA)
where:
Base-Base interactions energy: -30.493
where: short stacking energy: -30.048
Base-Backbone interact. energy: -0.889
local terms energy: -58.250402
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -8.932
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -7.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -298.641104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.641104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.641104 (E_RNA)
where:
Base-Base interactions energy: -204.458
where: short stacking energy: -87.745
Base-Backbone interact. energy: -0.089
local terms energy: -94.094004
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -25.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -287.878909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.878909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.878909 (E_RNA)
where:
Base-Base interactions energy: -196.441
where: short stacking energy: -87.534
Base-Backbone interact. energy: -0.019
local terms energy: -91.419367
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -28.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -285.101929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.101929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.101929 (E_RNA)
where:
Base-Base interactions energy: -196.744
where: short stacking energy: -73.666
Base-Backbone interact. energy: -0.012
local terms energy: -88.345968
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -22.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -275.896333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.896333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.896333 (E_RNA)
where:
Base-Base interactions energy: -187.856
where: short stacking energy: -83.221
Base-Backbone interact. energy: -0.270
local terms energy: -87.769687
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -26.390
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: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -261.813112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.813112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.813112 (E_RNA)
where:
Base-Base interactions energy: -179.004
where: short stacking energy: -64.199
Base-Backbone interact. energy: 0.620
local terms energy: -83.429514
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -239.989188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.989188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.989188 (E_RNA)
where:
Base-Base interactions energy: -162.494
where: short stacking energy: -64.541
Base-Backbone interact. energy: -0.393
local terms energy: -77.102313
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -18.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -230.033682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.033682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.033682 (E_RNA)
where:
Base-Base interactions energy: -159.504
where: short stacking energy: -52.845
Base-Backbone interact. energy: 0.163
local terms energy: -70.692396
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -15.282
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: 8, replica: 2
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -92.768811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.768811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.768811 (E_RNA)
where:
Base-Base interactions energy: -32.675
where: short stacking energy: -27.973
Base-Backbone interact. energy: -0.029
local terms energy: -60.064715
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -91.638780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.638780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.638780 (E_RNA)
where:
Base-Base interactions energy: -28.964
where: short stacking energy: -29.764
Base-Backbone interact. energy: -0.442
local terms energy: -62.233344
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -2.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -85.856508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.856508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.856508 (E_RNA)
where:
Base-Base interactions energy: -27.945
where: short stacking energy: -24.662
Base-Backbone interact. energy: 1.313
local terms energy: -59.224439
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -5.676
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: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -303.784706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.784706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.784706 (E_RNA)
where:
Base-Base interactions energy: -202.435
where: short stacking energy: -91.693
Base-Backbone interact. energy: -0.060
local terms energy: -101.289455
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -20.455
flat angles P-C4'-P energy: -13.502
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: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -288.722889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.722889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.722889 (E_RNA)
where:
Base-Base interactions energy: -191.703
where: short stacking energy: -81.724
Base-Backbone interact. energy: -0.127
local terms energy: -96.892453
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -17.314
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -27.232
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: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -274.831613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.831613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.831613 (E_RNA)
where:
Base-Base interactions energy: -190.883
where: short stacking energy: -75.757
Base-Backbone interact. energy: -0.481
local terms energy: -83.467593
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -22.181
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: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -279.574183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.574183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.574183 (E_RNA)
where:
Base-Base interactions energy: -182.198
where: short stacking energy: -82.433
Base-Backbone interact. energy: -0.051
local terms energy: -97.324740
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -26.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -265.373931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.373931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.373931 (E_RNA)
where:
Base-Base interactions energy: -178.546
where: short stacking energy: -77.392
Base-Backbone interact. energy: -0.012
local terms energy: -86.815930
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -22.910
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: 8
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -247.210906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.210906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.210906 (E_RNA)
where:
Base-Base interactions energy: -162.258
where: short stacking energy: -67.051
Base-Backbone interact. energy: -0.192
local terms energy: -84.761279
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -201.277828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.277828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.277828 (E_RNA)
where:
Base-Base interactions energy: -122.310
where: short stacking energy: -50.519
Base-Backbone interact. energy: -0.660
local terms energy: -78.307777
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -12.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -86.723975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.723975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.723975 (E_RNA)
where:
Base-Base interactions energy: -31.146
where: short stacking energy: -30.179
Base-Backbone interact. energy: -0.326
local terms energy: -55.251340
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -6.844
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -92.321096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.321096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.321096 (E_RNA)
where:
Base-Base interactions energy: -28.712
where: short stacking energy: -26.687
Base-Backbone interact. energy: -0.244
local terms energy: -63.364952
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: 0.172
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: 10, replica: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -87.404906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.404906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.404906 (E_RNA)
where:
Base-Base interactions energy: -29.879
where: short stacking energy: -29.879
Base-Backbone interact. energy: -0.175
local terms energy: -57.350728
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -283.574604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.574604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.574604 (E_RNA)
where:
Base-Base interactions energy: -187.328
where: short stacking energy: -77.537
Base-Backbone interact. energy: -0.026
local terms energy: -96.220988
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: -24.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -298.865436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.865436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.865436 (E_RNA)
where:
Base-Base interactions energy: -199.279
where: short stacking energy: -79.202
Base-Backbone interact. energy: -0.135
local terms energy: -99.452168
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -26.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -282.400676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.400676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.400676 (E_RNA)
where:
Base-Base interactions energy: -186.769
where: short stacking energy: -79.250
Base-Backbone interact. energy: -0.001
local terms energy: -95.631127
where:
bonds (distance) C4'-P energy: -19.688
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: -27.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -257.981895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.981895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.981895 (E_RNA)
where:
Base-Base interactions energy: -166.552
where: short stacking energy: -78.406
Base-Backbone interact. energy: -1.281
local terms energy: -90.149272
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -13.221
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: 5, replica: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -268.189038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.189038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.189038 (E_RNA)
where:
Base-Base interactions energy: -174.843
where: short stacking energy: -76.425
Base-Backbone interact. energy: -0.111
local terms energy: -93.234731
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -25.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -219.291345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.291345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.291345 (E_RNA)
where:
Base-Base interactions energy: -137.220
where: short stacking energy: -62.368
Base-Backbone interact. energy: -0.086
local terms energy: -81.985184
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -206.943386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.943386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.943386 (E_RNA)
where:
Base-Base interactions energy: -131.273
where: short stacking energy: -50.957
Base-Backbone interact. energy: -0.598
local terms energy: -75.073173
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -13.539
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: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -98.538311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.538311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.538311 (E_RNA)
where:
Base-Base interactions energy: -37.791
where: short stacking energy: -17.417
Base-Backbone interact. energy: 0.226
local terms energy: -60.973706
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -7.945
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -91.197289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.197289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.197289 (E_RNA)
where:
Base-Base interactions energy: -23.357
where: short stacking energy: -23.357
Base-Backbone interact. energy: -0.164
local terms energy: -67.676553
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -20.902
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -4.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -87.538129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.538129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.538129 (E_RNA)
where:
Base-Base interactions energy: -30.385
where: short stacking energy: -25.643
Base-Backbone interact. energy: -0.272
local terms energy: -56.880699
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -10.136
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: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -285.207752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.207752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.207752 (E_RNA)
where:
Base-Base interactions energy: -188.662
where: short stacking energy: -77.423
Base-Backbone interact. energy: -0.015
local terms energy: -96.530788
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -20.424
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -23.670
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: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -287.585376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.585376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.585376 (E_RNA)
where:
Base-Base interactions energy: -192.751
where: short stacking energy: -82.331
Base-Backbone interact. energy: -0.073
local terms energy: -94.760718
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -23.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -290.600371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.600371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.600371 (E_RNA)
where:
Base-Base interactions energy: -197.613
where: short stacking energy: -84.410
Base-Backbone interact. energy: -0.530
local terms energy: -92.457375
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -26.853
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: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -274.913448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.913448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.913448 (E_RNA)
where:
Base-Base interactions energy: -181.797
where: short stacking energy: -78.967
Base-Backbone interact. energy: -0.099
local terms energy: -93.018288
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -23.219
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -23.390
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: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -248.512214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.512214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.512214 (E_RNA)
where:
Base-Base interactions energy: -171.863
where: short stacking energy: -79.484
Base-Backbone interact. energy: -0.136
local terms energy: -76.513084
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -21.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -214.677947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.677947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.677947 (E_RNA)
where:
Base-Base interactions energy: -134.608
where: short stacking energy: -51.032
Base-Backbone interact. energy: 0.100
local terms energy: -80.169920
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -20.108
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -11.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -199.792158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.792158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.792158 (E_RNA)
where:
Base-Base interactions energy: -130.131
where: short stacking energy: -47.005
Base-Backbone interact. energy: -0.936
local terms energy: -68.724675
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -10.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -97.993228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.993228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.993228 (E_RNA)
where:
Base-Base interactions energy: -35.196
where: short stacking energy: -24.480
Base-Backbone interact. energy: -0.784
local terms energy: -62.012817
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: 1.461
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: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -96.024776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.024776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.024776 (E_RNA)
where:
Base-Base interactions energy: -38.225
where: short stacking energy: -20.248
Base-Backbone interact. energy: 0.107
local terms energy: -57.907109
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -0.351
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: 10, replica: 2
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -84.646218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.646218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.646218 (E_RNA)
where:
Base-Base interactions energy: -23.264
where: short stacking energy: -19.167
Base-Backbone interact. energy: -0.622
local terms energy: -60.760371
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -22.678
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -3.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -303.045202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.045202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.045202 (E_RNA)
where:
Base-Base interactions energy: -204.502
where: short stacking energy: -80.277
Base-Backbone interact. energy: -0.095
local terms energy: -98.448010
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -26.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -293.294272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.294272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.294272 (E_RNA)
where:
Base-Base interactions energy: -197.473
where: short stacking energy: -90.300
Base-Backbone interact. energy: -0.402
local terms energy: -95.419692
where:
bonds (distance) C4'-P energy: -19.908
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -27.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -294.756954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.756954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.756954 (E_RNA)
where:
Base-Base interactions energy: -197.465
where: short stacking energy: -84.598
Base-Backbone interact. energy: -0.310
local terms energy: -96.981855
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -26.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -273.912496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.912496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.912496 (E_RNA)
where:
Base-Base interactions energy: -187.743
where: short stacking energy: -78.728
Base-Backbone interact. energy: -0.275
local terms energy: -85.894821
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -23.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -269.517395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.517395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.517395 (E_RNA)
where:
Base-Base interactions energy: -184.527
where: short stacking energy: -80.190
Base-Backbone interact. energy: -0.077
local terms energy: -84.912546
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -21.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -213.805834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.805834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.805834 (E_RNA)
where:
Base-Base interactions energy: -146.010
where: short stacking energy: -59.268
Base-Backbone interact. energy: -0.072
local terms energy: -67.724029
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -11.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -204.116724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.116724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.116724 (E_RNA)
where:
Base-Base interactions energy: -131.678
where: short stacking energy: -63.193
Base-Backbone interact. energy: -0.213
local terms energy: -72.225646
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -20.385
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -107.734882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.734882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.734882 (E_RNA)
where:
Base-Base interactions energy: -51.299
where: short stacking energy: -31.421
Base-Backbone interact. energy: 1.355
local terms energy: -57.790740
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -3.549
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: 9, replica: 2
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -105.455203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.455203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.455203 (E_RNA)
where:
Base-Base interactions energy: -39.186
where: short stacking energy: -34.904
Base-Backbone interact. energy: -0.381
local terms energy: -65.887729
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -21.969
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -89.105006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.105006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.105006 (E_RNA)
where:
Base-Base interactions energy: -31.248
where: short stacking energy: -31.248
Base-Backbone interact. energy: -0.124
local terms energy: -57.732836
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -4.793
tors. eta vs tors. theta energy: -5.824
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: 1, replica: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -297.239369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.239369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.239369 (E_RNA)
where:
Base-Base interactions energy: -200.423
where: short stacking energy: -85.102
Base-Backbone interact. energy: -0.072
local terms energy: -96.744188
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -21.137
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -24.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -294.032247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.032247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.032247 (E_RNA)
where:
Base-Base interactions energy: -198.325
where: short stacking energy: -78.801
Base-Backbone interact. energy: -0.037
local terms energy: -95.670444
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -19.886
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -25.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -280.345623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.345623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.345623 (E_RNA)
where:
Base-Base interactions energy: -191.392
where: short stacking energy: -73.302
Base-Backbone interact. energy: -0.319
local terms energy: -88.634722
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -19.057
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -273.759098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.759098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.759098 (E_RNA)
where:
Base-Base interactions energy: -183.038
where: short stacking energy: -73.589
Base-Backbone interact. energy: -0.118
local terms energy: -90.602932
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -24.619
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: 311
Temperature: 1.100000
Total energy: -274.472938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.472938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.472938 (E_RNA)
where:
Base-Base interactions energy: -192.710
where: short stacking energy: -83.030
Base-Backbone interact. energy: -0.209
local terms energy: -81.553997
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -21.896
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: 8
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -212.462737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.462737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.462737 (E_RNA)
where:
Base-Base interactions energy: -134.060
where: short stacking energy: -51.101
Base-Backbone interact. energy: -0.092
local terms energy: -78.311251
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -13.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -220.995282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.995282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.995282 (E_RNA)
where:
Base-Base interactions energy: -144.485
where: short stacking energy: -63.118
Base-Backbone interact. energy: -0.108
local terms energy: -76.402380
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -17.468
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: 311
Temperature: 1.250000
Total energy: -113.267305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.267305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.267305 (E_RNA)
where:
Base-Base interactions energy: -49.099
where: short stacking energy: -38.279
Base-Backbone interact. energy: -0.148
local terms energy: -64.020637
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -4.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -89.320656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.320656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.320656 (E_RNA)
where:
Base-Base interactions energy: -31.821
where: short stacking energy: -29.098
Base-Backbone interact. energy: -0.107
local terms energy: -57.392430
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -100.095230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.095230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.095230 (E_RNA)
where:
Base-Base interactions energy: -44.992
where: short stacking energy: -31.081
Base-Backbone interact. energy: -0.173
local terms energy: -54.930094
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -5.208
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: 1, replica: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -286.699713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.699713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.699713 (E_RNA)
where:
Base-Base interactions energy: -191.956
where: short stacking energy: -91.498
Base-Backbone interact. energy: -0.013
local terms energy: -94.730658
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -25.837
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: 2, replica: 3
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -293.766873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.766873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.766873 (E_RNA)
where:
Base-Base interactions energy: -201.351
where: short stacking energy: -80.577
Base-Backbone interact. energy: -0.138
local terms energy: -92.277171
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -19.770
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -26.058
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: 312
Temperature: 1.000000
Total energy: -287.599412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.599412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.599412 (E_RNA)
where:
Base-Base interactions energy: -198.121
where: short stacking energy: -86.043
Base-Backbone interact. energy: 0.670
local terms energy: -90.148199
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -21.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -284.343495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.343495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.343495 (E_RNA)
where:
Base-Base interactions energy: -186.443
where: short stacking energy: -78.509
Base-Backbone interact. energy: -0.106
local terms energy: -97.794614
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -23.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -213.552501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.552501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.552501 (E_RNA)
where:
Base-Base interactions energy: -143.228
where: short stacking energy: -62.539
Base-Backbone interact. energy: -1.330
local terms energy: -68.994497
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -15.642
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: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -261.818684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.818684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.818684 (E_RNA)
where:
Base-Base interactions energy: -172.591
where: short stacking energy: -69.561
Base-Backbone interact. energy: -0.740
local terms energy: -88.488239
where:
bonds (distance) C4'-P energy: -20.712
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -18.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -225.047849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.047849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.047849 (E_RNA)
where:
Base-Base interactions energy: -144.115
where: short stacking energy: -62.642
Base-Backbone interact. energy: -0.127
local terms energy: -80.805400
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -19.650
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: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -117.270412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.270412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.270412 (E_RNA)
where:
Base-Base interactions energy: -41.903
where: short stacking energy: -41.514
Base-Backbone interact. energy: 0.080
local terms energy: -75.447598
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -21.836
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -12.012
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: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -138.048676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.048676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.048676 (E_RNA)
where:
Base-Base interactions energy: -87.230
where: short stacking energy: -42.934
Base-Backbone interact. energy: 0.546
local terms energy: -51.364429
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -8.292
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -10.568
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: 10, replica: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -91.866397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.866397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.866397 (E_RNA)
where:
Base-Base interactions energy: -29.911
where: short stacking energy: -29.911
Base-Backbone interact. energy: -1.922
local terms energy: -60.033606
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -21.136
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -295.051992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.051992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.051992 (E_RNA)
where:
Base-Base interactions energy: -191.208
where: short stacking energy: -95.271
Base-Backbone interact. energy: -0.369
local terms energy: -103.474892
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -19.770
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -28.970
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: 313
Temperature: 0.950000
Total energy: -297.259954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.259954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.259954 (E_RNA)
where:
Base-Base interactions energy: -203.213
where: short stacking energy: -82.844
Base-Backbone interact. energy: -0.061
local terms energy: -93.986400
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -27.837
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: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -279.878118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.878118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.878118 (E_RNA)
where:
Base-Base interactions energy: -185.334
where: short stacking energy: -90.516
Base-Backbone interact. energy: -0.002
local terms energy: -94.542352
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -27.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -280.814202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.814202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.814202 (E_RNA)
where:
Base-Base interactions energy: -189.696
where: short stacking energy: -83.195
Base-Backbone interact. energy: 0.568
local terms energy: -91.686659
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -22.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -234.138141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.138141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.138141 (E_RNA)
where:
Base-Base interactions energy: -153.556
where: short stacking energy: -74.690
Base-Backbone interact. energy: -0.327
local terms energy: -80.255511
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -21.887
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: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -271.019741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.019741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.019741 (E_RNA)
where:
Base-Base interactions energy: -190.114
where: short stacking energy: -79.624
Base-Backbone interact. energy: 0.002
local terms energy: -80.907263
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -10.870
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: 7, replica: 4
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -170.766551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.766551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.766551 (E_RNA)
where:
Base-Base interactions energy: -103.259
where: short stacking energy: -46.704
Base-Backbone interact. energy: 0.283
local terms energy: -67.790495
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -8.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -98.733198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.733198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.733198 (E_RNA)
where:
Base-Base interactions energy: -45.546
where: short stacking energy: -29.628
Base-Backbone interact. energy: -0.255
local terms energy: -52.931963
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: 0.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -127.067842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.067842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.067842 (E_RNA)
where:
Base-Base interactions energy: -66.649
where: short stacking energy: -36.790
Base-Backbone interact. energy: -0.660
local terms energy: -59.759050
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -5.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -97.676616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.676616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.676616 (E_RNA)
where:
Base-Base interactions energy: -39.548
where: short stacking energy: -39.248
Base-Backbone interact. energy: -0.065
local terms energy: -58.063972
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -5.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -291.815645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.815645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.815645 (E_RNA)
where:
Base-Base interactions energy: -200.596
where: short stacking energy: -85.258
Base-Backbone interact. energy: -0.025
local terms energy: -91.194781
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -23.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -281.877239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.877239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.877239 (E_RNA)
where:
Base-Base interactions energy: -189.473
where: short stacking energy: -74.066
Base-Backbone interact. energy: -0.039
local terms energy: -92.364657
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -11.829
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: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -284.149236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.149236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.149236 (E_RNA)
where:
Base-Base interactions energy: -186.600
where: short stacking energy: -79.366
Base-Backbone interact. energy: -0.055
local terms energy: -97.493980
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -27.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -276.941513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.941513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.941513 (E_RNA)
where:
Base-Base interactions energy: -189.729
where: short stacking energy: -85.207
Base-Backbone interact. energy: -0.237
local terms energy: -86.976446
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -22.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -267.648947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.648947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.648947 (E_RNA)
where:
Base-Base interactions energy: -178.664
where: short stacking energy: -76.992
Base-Backbone interact. energy: -1.508
local terms energy: -87.476595
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -23.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -225.354476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.354476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.354476 (E_RNA)
where:
Base-Base interactions energy: -141.307
where: short stacking energy: -65.182
Base-Backbone interact. energy: -0.368
local terms energy: -83.678864
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -171.396452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.396452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.396452 (E_RNA)
where:
Base-Base interactions energy: -93.635
where: short stacking energy: -53.789
Base-Backbone interact. energy: -0.107
local terms energy: -77.654465
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -14.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -101.860303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.860303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.860303 (E_RNA)
where:
Base-Base interactions energy: -43.853
where: short stacking energy: -35.591
Base-Backbone interact. energy: -0.163
local terms energy: -57.844023
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -2.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -107.337004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.337004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.337004 (E_RNA)
where:
Base-Base interactions energy: -41.271
where: short stacking energy: -31.735
Base-Backbone interact. energy: -0.256
local terms energy: -65.810439
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -91.537179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.537179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.537179 (E_RNA)
where:
Base-Base interactions energy: -32.306
where: short stacking energy: -26.820
Base-Backbone interact. energy: -0.093
local terms energy: -59.137672
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -2.864
tors. eta vs tors. theta energy: -3.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -295.964286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.964286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.964286 (E_RNA)
where:
Base-Base interactions energy: -196.861
where: short stacking energy: -86.561
Base-Backbone interact. energy: -0.069
local terms energy: -99.034048
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -25.254
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: 2, replica: 1
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -287.468449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.468449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.468449 (E_RNA)
where:
Base-Base interactions energy: -193.939
where: short stacking energy: -81.701
Base-Backbone interact. energy: -0.020
local terms energy: -93.509006
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -22.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -286.436392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.436392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.436392 (E_RNA)
where:
Base-Base interactions energy: -190.343
where: short stacking energy: -79.746
Base-Backbone interact. energy: -0.008
local terms energy: -96.085919
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -14.772
tors. eta vs tors. theta energy: -24.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -271.246841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.246841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.246841 (E_RNA)
where:
Base-Base interactions energy: -190.681
where: short stacking energy: -81.648
Base-Backbone interact. energy: -0.514
local terms energy: -80.052017
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -22.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -256.612112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.612112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.612112 (E_RNA)
where:
Base-Base interactions energy: -178.848
where: short stacking energy: -76.799
Base-Backbone interact. energy: -1.144
local terms energy: -76.620323
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -8.772
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -19.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -178.353200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.353200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.353200 (E_RNA)
where:
Base-Base interactions energy: -98.810
where: short stacking energy: -56.901
Base-Backbone interact. energy: -0.311
local terms energy: -79.232323
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -12.171
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: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -218.650515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.650515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.650515 (E_RNA)
where:
Base-Base interactions energy: -148.146
where: short stacking energy: -64.087
Base-Backbone interact. energy: -0.189
local terms energy: -70.316287
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -105.183539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.183539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.183539 (E_RNA)
where:
Base-Base interactions energy: -39.393
where: short stacking energy: -32.631
Base-Backbone interact. energy: -0.957
local terms energy: -64.834153
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -7.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -94.196770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.196770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.196770 (E_RNA)
where:
Base-Base interactions energy: -33.135
where: short stacking energy: -31.683
Base-Backbone interact. energy: 0.764
local terms energy: -61.825755
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: 0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -88.898733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.898733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.898733 (E_RNA)
where:
Base-Base interactions energy: -37.921
where: short stacking energy: -37.800
Base-Backbone interact. energy: -0.108
local terms energy: -50.869078
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: 1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -300.636161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.636161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.636161 (E_RNA)
where:
Base-Base interactions energy: -200.178
where: short stacking energy: -90.020
Base-Backbone interact. energy: -0.089
local terms energy: -100.369115
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -15.628
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: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -286.892827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.892827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.892827 (E_RNA)
where:
Base-Base interactions energy: -196.891
where: short stacking energy: -81.344
Base-Backbone interact. energy: -0.228
local terms energy: -89.774308
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -24.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -282.191884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.191884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.191884 (E_RNA)
where:
Base-Base interactions energy: -188.181
where: short stacking energy: -86.167
Base-Backbone interact. energy: 0.490
local terms energy: -94.500355
where:
bonds (distance) C4'-P energy: -17.202
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -20.326
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -27.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -255.390545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.390545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.390545 (E_RNA)
where:
Base-Base interactions energy: -175.768
where: short stacking energy: -76.345
Base-Backbone interact. energy: -0.083
local terms energy: -79.539771
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -18.498
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: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -269.079805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.079805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.079805 (E_RNA)
where:
Base-Base interactions energy: -184.120
where: short stacking energy: -77.591
Base-Backbone interact. energy: -0.341
local terms energy: -84.618908
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -230.747901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.747901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.747901 (E_RNA)
where:
Base-Base interactions energy: -160.623
where: short stacking energy: -59.646
Base-Backbone interact. energy: 0.314
local terms energy: -70.439043
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -16.114
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: 316
Temperature: 1.200000
Total energy: -214.524945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.524945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.524945 (E_RNA)
where:
Base-Base interactions energy: -141.386
where: short stacking energy: -62.624
Base-Backbone interact. energy: -0.869
local terms energy: -72.270586
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -13.161
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: 8, replica: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -105.873275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.873275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.873275 (E_RNA)
where:
Base-Base interactions energy: -48.707
where: short stacking energy: -40.288
Base-Backbone interact. energy: 0.235
local terms energy: -57.401433
where:
bonds (distance) C4'-P energy: -8.274
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -8.057
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: 9, replica: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -87.761520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.761520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.761520 (E_RNA)
where:
Base-Base interactions energy: -31.256
where: short stacking energy: -29.604
Base-Backbone interact. energy: -0.130
local terms energy: -56.374772
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -3.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -83.102805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.102805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.102805 (E_RNA)
where:
Base-Base interactions energy: -19.352
where: short stacking energy: -18.992
Base-Backbone interact. energy: -0.148
local terms energy: -63.602472
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -1.187
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: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -294.041224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.041224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.041224 (E_RNA)
where:
Base-Base interactions energy: -193.263
where: short stacking energy: -82.984
Base-Backbone interact. energy: -0.340
local terms energy: -100.437952
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -21.136
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -26.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -293.417711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.417711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.417711 (E_RNA)
where:
Base-Base interactions energy: -196.411
where: short stacking energy: -81.178
Base-Backbone interact. energy: -0.004
local terms energy: -97.003135
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -22.820
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -22.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -274.912004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.912004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.912004 (E_RNA)
where:
Base-Base interactions energy: -181.782
where: short stacking energy: -81.985
Base-Backbone interact. energy: -0.329
local terms energy: -92.801104
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -23.184
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: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -274.771652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.771652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.771652 (E_RNA)
where:
Base-Base interactions energy: -185.934
where: short stacking energy: -87.047
Base-Backbone interact. energy: -0.242
local terms energy: -88.595631
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -22.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -275.587599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.587599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.587599 (E_RNA)
where:
Base-Base interactions energy: -195.051
where: short stacking energy: -78.713
Base-Backbone interact. energy: 0.017
local terms energy: -80.553669
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -22.915
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: 8
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -221.527494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.527494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.527494 (E_RNA)
where:
Base-Base interactions energy: -143.114
where: short stacking energy: -66.898
Base-Backbone interact. energy: -0.585
local terms energy: -77.827813
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -18.130
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: 4
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -211.379304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.379304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.379304 (E_RNA)
where:
Base-Base interactions energy: -144.488
where: short stacking energy: -55.065
Base-Backbone interact. energy: 0.475
local terms energy: -67.366435
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -11.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -115.356413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.356413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.356413 (E_RNA)
where:
Base-Base interactions energy: -44.930
where: short stacking energy: -43.771
Base-Backbone interact. energy: -0.372
local terms energy: -70.054305
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -9.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -109.720453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.720453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.720453 (E_RNA)
where:
Base-Base interactions energy: -40.545
where: short stacking energy: -40.139
Base-Backbone interact. energy: -0.545
local terms energy: -68.630391
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -9.719
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: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -85.545025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.545025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.545025 (E_RNA)
where:
Base-Base interactions energy: -44.915
where: short stacking energy: -25.500
Base-Backbone interact. energy: -1.360
local terms energy: -39.269999
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -3.494
tors. eta vs tors. theta energy: 2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -293.298503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.298503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.298503 (E_RNA)
where:
Base-Base interactions energy: -202.094
where: short stacking energy: -89.986
Base-Backbone interact. energy: -0.014
local terms energy: -91.190619
where:
bonds (distance) C4'-P energy: -20.489
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -24.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -292.688530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.688530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.688530 (E_RNA)
where:
Base-Base interactions energy: -197.965
where: short stacking energy: -87.242
Base-Backbone interact. energy: -0.101
local terms energy: -94.622026
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -23.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -281.442469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.442469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.442469 (E_RNA)
where:
Base-Base interactions energy: -189.277
where: short stacking energy: -76.312
Base-Backbone interact. energy: -0.091
local terms energy: -92.075296
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -24.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -285.846189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.846189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.846189 (E_RNA)
where:
Base-Base interactions energy: -181.180
where: short stacking energy: -90.251
Base-Backbone interact. energy: -0.004
local terms energy: -104.661968
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -28.325
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: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -268.675573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.675573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.675573 (E_RNA)
where:
Base-Base interactions energy: -187.790
where: short stacking energy: -71.095
Base-Backbone interact. energy: -0.343
local terms energy: -80.542259
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -22.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -216.408735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.408735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.408735 (E_RNA)
where:
Base-Base interactions energy: -143.873
where: short stacking energy: -53.281
Base-Backbone interact. energy: -0.117
local terms energy: -72.418168
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -207.795286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.795286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.795286 (E_RNA)
where:
Base-Base interactions energy: -138.594
where: short stacking energy: -64.378
Base-Backbone interact. energy: 5.090
local terms energy: -74.291270
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -112.759182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.759182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.759182 (E_RNA)
where:
Base-Base interactions energy: -51.233
where: short stacking energy: -50.680
Base-Backbone interact. energy: -0.297
local terms energy: -61.228371
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -5.116
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: 9, replica: 2
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -98.438187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.438187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.438187 (E_RNA)
where:
Base-Base interactions energy: -46.863
where: short stacking energy: -33.904
Base-Backbone interact. energy: -0.286
local terms energy: -51.288962
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -89.049197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.049197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.049197 (E_RNA)
where:
Base-Base interactions energy: -28.783
where: short stacking energy: -27.977
Base-Backbone interact. energy: -0.147
local terms energy: -60.119406
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -17.504
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -3.333
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: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -296.595341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.595341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.595341 (E_RNA)
where:
Base-Base interactions energy: -197.317
where: short stacking energy: -79.040
Base-Backbone interact. energy: -0.086
local terms energy: -99.192946
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -18.829
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -25.636
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: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -293.666371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.666371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.666371 (E_RNA)
where:
Base-Base interactions energy: -203.731
where: short stacking energy: -86.694
Base-Backbone interact. energy: -0.034
local terms energy: -89.901966
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -22.702
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: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -285.183000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.183000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.183000 (E_RNA)
where:
Base-Base interactions energy: -193.438
where: short stacking energy: -69.326
Base-Backbone interact. energy: -1.246
local terms energy: -90.499356
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -20.059
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -21.707
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: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -277.073595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.073595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.073595 (E_RNA)
where:
Base-Base interactions energy: -180.323
where: short stacking energy: -83.366
Base-Backbone interact. energy: -0.055
local terms energy: -96.696019
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -28.619
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: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -268.389438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.389438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.389438 (E_RNA)
where:
Base-Base interactions energy: -189.540
where: short stacking energy: -77.557
Base-Backbone interact. energy: -0.163
local terms energy: -78.685725
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -21.690
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: 6, replica: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -215.551683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.551683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.551683 (E_RNA)
where:
Base-Base interactions energy: -144.018
where: short stacking energy: -61.730
Base-Backbone interact. energy: -0.512
local terms energy: -71.020826
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -11.451
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: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -191.034437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.034437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.034437 (E_RNA)
where:
Base-Base interactions energy: -120.731
where: short stacking energy: -62.374
Base-Backbone interact. energy: -1.443
local terms energy: -68.860630
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -8.282
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -17.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -103.602650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.602650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.602650 (E_RNA)
where:
Base-Base interactions energy: -41.448
where: short stacking energy: -38.295
Base-Backbone interact. energy: -0.159
local terms energy: -61.995272
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -11.672
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: 9, replica: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -96.528883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.528883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.528883 (E_RNA)
where:
Base-Base interactions energy: -34.698
where: short stacking energy: -15.959
Base-Backbone interact. energy: 0.097
local terms energy: -61.928068
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -93.714539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.714539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.714539 (E_RNA)
where:
Base-Base interactions energy: -33.091
where: short stacking energy: -32.826
Base-Backbone interact. energy: 0.374
local terms energy: -60.996636
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -9.129
flat angles P-C4'-P energy: -2.316
tors. eta vs tors. theta energy: -9.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -284.082607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.082607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.082607 (E_RNA)
where:
Base-Base interactions energy: -190.050
where: short stacking energy: -94.299
Base-Backbone interact. energy: -0.013
local terms energy: -94.019288
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -25.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -295.953642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.953642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.953642 (E_RNA)
where:
Base-Base interactions energy: -198.192
where: short stacking energy: -80.050
Base-Backbone interact. energy: -0.054
local terms energy: -97.707599
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -21.378
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -26.239
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: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -284.392879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.392879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.392879 (E_RNA)
where:
Base-Base interactions energy: -192.420
where: short stacking energy: -83.804
Base-Backbone interact. energy: -0.002
local terms energy: -91.971514
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -26.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -273.067690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.067690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.067690 (E_RNA)
where:
Base-Base interactions energy: -184.859
where: short stacking energy: -86.195
Base-Backbone interact. energy: -0.089
local terms energy: -88.119746
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -26.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -268.440995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.440995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.440995 (E_RNA)
where:
Base-Base interactions energy: -185.924
where: short stacking energy: -75.648
Base-Backbone interact. energy: -0.722
local terms energy: -81.794772
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -21.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -210.690327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.690327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.690327 (E_RNA)
where:
Base-Base interactions energy: -136.563
where: short stacking energy: -61.561
Base-Backbone interact. energy: -1.256
local terms energy: -72.871973
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -209.795878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.795878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.795878 (E_RNA)
where:
Base-Base interactions energy: -130.075
where: short stacking energy: -51.660
Base-Backbone interact. energy: -0.563
local terms energy: -79.157251
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -11.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -95.154937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.154937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.154937 (E_RNA)
where:
Base-Base interactions energy: -33.164
where: short stacking energy: -30.710
Base-Backbone interact. energy: -0.757
local terms energy: -61.233412
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: 0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -101.505197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.505197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.505197 (E_RNA)
where:
Base-Base interactions energy: -38.326
where: short stacking energy: -38.493
Base-Backbone interact. energy: -0.114
local terms energy: -63.065344
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -6.588
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: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -105.443874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.443874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.443874 (E_RNA)
where:
Base-Base interactions energy: -57.367
where: short stacking energy: -28.955
Base-Backbone interact. energy: -0.603
local terms energy: -47.474170
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -4.312
tors. eta vs tors. theta energy: 1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -287.788512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.788512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.788512 (E_RNA)
where:
Base-Base interactions energy: -189.432
where: short stacking energy: -84.327
Base-Backbone interact. energy: -0.001
local terms energy: -98.355806
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -19.469
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -28.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -282.400130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.400130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.400130 (E_RNA)
where:
Base-Base interactions energy: -183.588
where: short stacking energy: -79.763
Base-Backbone interact. energy: -0.346
local terms energy: -98.466592
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -26.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -291.650008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.650008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.650008 (E_RNA)
where:
Base-Base interactions energy: -200.796
where: short stacking energy: -81.842
Base-Backbone interact. energy: -0.670
local terms energy: -90.184330
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -24.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -280.687593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.687593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.687593 (E_RNA)
where:
Base-Base interactions energy: -187.503
where: short stacking energy: -82.731
Base-Backbone interact. energy: -0.040
local terms energy: -93.144806
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -26.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -272.899272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.899272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.899272 (E_RNA)
where:
Base-Base interactions energy: -187.466
where: short stacking energy: -82.862
Base-Backbone interact. energy: -0.122
local terms energy: -85.310750
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -25.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -212.584634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.584634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.584634 (E_RNA)
where:
Base-Base interactions energy: -137.679
where: short stacking energy: -62.111
Base-Backbone interact. energy: -0.014
local terms energy: -74.892243
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -16.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -198.867545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.867545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.867545 (E_RNA)
where:
Base-Base interactions energy: -133.310
where: short stacking energy: -55.035
Base-Backbone interact. energy: -1.543
local terms energy: -64.014861
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -7.920
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -94.964120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.964120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.964120 (E_RNA)
where:
Base-Base interactions energy: -41.039
where: short stacking energy: -21.386
Base-Backbone interact. energy: -0.042
local terms energy: -53.882253
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -9.608
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -101.378544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.378544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.378544 (E_RNA)
where:
Base-Base interactions energy: -38.609
where: short stacking energy: -34.703
Base-Backbone interact. energy: -0.088
local terms energy: -62.682225
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -5.491
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: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -85.015839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.015839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.015839 (E_RNA)
where:
Base-Base interactions energy: -26.579
where: short stacking energy: -19.552
Base-Backbone interact. energy: -0.266
local terms energy: -58.171065
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -0.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -291.028397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.028397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.028397 (E_RNA)
where:
Base-Base interactions energy: -193.927
where: short stacking energy: -84.103
Base-Backbone interact. energy: -0.002
local terms energy: -97.099183
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -26.460
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: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -283.639496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.639496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.639496 (E_RNA)
where:
Base-Base interactions energy: -184.614
where: short stacking energy: -86.439
Base-Backbone interact. energy: -0.011
local terms energy: -99.014549
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -29.745
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: 3, replica: 1
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -295.862998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.862998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.862998 (E_RNA)
where:
Base-Base interactions energy: -205.640
where: short stacking energy: -88.930
Base-Backbone interact. energy: -0.078
local terms energy: -90.145229
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -18.275
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -26.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -291.325118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.325118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.325118 (E_RNA)
where:
Base-Base interactions energy: -197.378
where: short stacking energy: -83.995
Base-Backbone interact. energy: -0.021
local terms energy: -93.925749
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -15.081
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: 5, replica: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -255.160956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.160956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.160956 (E_RNA)
where:
Base-Base interactions energy: -171.320
where: short stacking energy: -77.269
Base-Backbone interact. energy: -0.141
local terms energy: -83.700585
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -20.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -218.315253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.315253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.315253 (E_RNA)
where:
Base-Base interactions energy: -141.460
where: short stacking energy: -67.901
Base-Backbone interact. energy: 0.734
local terms energy: -77.589069
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -19.946
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: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -184.169823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.169823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.169823 (E_RNA)
where:
Base-Base interactions energy: -111.458
where: short stacking energy: -56.288
Base-Backbone interact. energy: 0.595
local terms energy: -73.306265
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -15.988
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: 8, replica: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -103.881159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.881159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.881159 (E_RNA)
where:
Base-Base interactions energy: -42.235
where: short stacking energy: -33.787
Base-Backbone interact. energy: -0.062
local terms energy: -61.584185
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -107.053108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.053108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.053108 (E_RNA)
where:
Base-Base interactions energy: -48.719
where: short stacking energy: -31.834
Base-Backbone interact. energy: 0.917
local terms energy: -59.251259
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -86.373791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.373791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.373791 (E_RNA)
where:
Base-Base interactions energy: -25.651
where: short stacking energy: -25.651
Base-Backbone interact. energy: -0.209
local terms energy: -60.513839
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -4.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -297.516926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.516926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.516926 (E_RNA)
where:
Base-Base interactions energy: -200.946
where: short stacking energy: -90.506
Base-Backbone interact. energy: -0.018
local terms energy: -96.553045
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -26.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -276.799129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.799129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.799129 (E_RNA)
where:
Base-Base interactions energy: -187.122
where: short stacking energy: -92.587
Base-Backbone interact. energy: -0.353
local terms energy: -89.324191
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -23.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -275.293353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.293353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.293353 (E_RNA)
where:
Base-Base interactions energy: -187.259
where: short stacking energy: -92.019
Base-Backbone interact. energy: 0.230
local terms energy: -88.264951
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -27.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -280.308031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.308031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.308031 (E_RNA)
where:
Base-Base interactions energy: -182.104
where: short stacking energy: -84.429
Base-Backbone interact. energy: -0.123
local terms energy: -98.080853
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -26.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -272.480195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.480195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.480195 (E_RNA)
where:
Base-Base interactions energy: -186.943
where: short stacking energy: -84.042
Base-Backbone interact. energy: -0.028
local terms energy: -85.508845
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -12.449
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: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -228.937163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.937163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.937163 (E_RNA)
where:
Base-Base interactions energy: -147.056
where: short stacking energy: -58.419
Base-Backbone interact. energy: -0.573
local terms energy: -81.308366
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -18.304
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: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -219.237098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.237098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.237098 (E_RNA)
where:
Base-Base interactions energy: -149.688
where: short stacking energy: -66.705
Base-Backbone interact. energy: 0.447
local terms energy: -69.996921
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -16.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -95.851249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.851249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.851249 (E_RNA)
where:
Base-Base interactions energy: -46.591
where: short stacking energy: -34.545
Base-Backbone interact. energy: -0.199
local terms energy: -49.061599
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -6.005
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: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -89.196898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.196898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.196898 (E_RNA)
where:
Base-Base interactions energy: -36.292
where: short stacking energy: -19.380
Base-Backbone interact. energy: -0.146
local terms energy: -52.759299
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: 3.822
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: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -95.450910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.450910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.450910 (E_RNA)
where:
Base-Base interactions energy: -44.172
where: short stacking energy: -30.841
Base-Backbone interact. energy: -1.681
local terms energy: -49.597920
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -9.676
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -290.436497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.436497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.436497 (E_RNA)
where:
Base-Base interactions energy: -191.995
where: short stacking energy: -94.635
Base-Backbone interact. energy: -0.007
local terms energy: -98.434947
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -23.244
flat angles P-C4'-P energy: -15.690
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: 2, replica: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -284.713428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.713428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.713428 (E_RNA)
where:
Base-Base interactions energy: -198.506
where: short stacking energy: -89.585
Base-Backbone interact. energy: -0.016
local terms energy: -86.191232
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -24.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -275.949174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.949174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.949174 (E_RNA)
where:
Base-Base interactions energy: -186.116
where: short stacking energy: -73.059
Base-Backbone interact. energy: -0.069
local terms energy: -89.764984
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -23.445
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: 4, replica: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -272.825041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.825041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.825041 (E_RNA)
where:
Base-Base interactions energy: -181.000
where: short stacking energy: -82.225
Base-Backbone interact. energy: -0.007
local terms energy: -91.818104
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -23.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -269.409874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.409874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.409874 (E_RNA)
where:
Base-Base interactions energy: -188.999
where: short stacking energy: -73.941
Base-Backbone interact. energy: -0.032
local terms energy: -80.378624
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -23.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -221.063830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.063830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.063830 (E_RNA)
where:
Base-Base interactions energy: -148.007
where: short stacking energy: -60.429
Base-Backbone interact. energy: -0.202
local terms energy: -72.855127
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -211.472494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.472494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.472494 (E_RNA)
where:
Base-Base interactions energy: -144.826
where: short stacking energy: -65.557
Base-Backbone interact. energy: -0.713
local terms energy: -65.933532
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -14.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -109.419536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.419536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.419536 (E_RNA)
where:
Base-Base interactions energy: -48.475
where: short stacking energy: -33.904
Base-Backbone interact. energy: 0.359
local terms energy: -61.304179
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -109.181117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.181117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.181117 (E_RNA)
where:
Base-Base interactions energy: -56.746
where: short stacking energy: -26.166
Base-Backbone interact. energy: 2.302
local terms energy: -54.736505
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: 4.637
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: 10, replica: 9
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -97.290476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.290476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.290476 (E_RNA)
where:
Base-Base interactions energy: -33.275
where: short stacking energy: -28.499
Base-Backbone interact. energy: -0.200
local terms energy: -63.815310
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -19.022
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -6.171
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: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -287.388998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.388998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.388998 (E_RNA)
where:
Base-Base interactions energy: -194.094
where: short stacking energy: -86.832
Base-Backbone interact. energy: 0.483
local terms energy: -93.778135
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -15.630
tors. eta vs tors. theta energy: -26.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -287.046540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.046540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.046540 (E_RNA)
where:
Base-Base interactions energy: -192.083
where: short stacking energy: -76.795
Base-Backbone interact. energy: -0.149
local terms energy: -94.814951
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -22.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -273.083143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.083143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.083143 (E_RNA)
where:
Base-Base interactions energy: -186.220
where: short stacking energy: -80.650
Base-Backbone interact. energy: -0.039
local terms energy: -86.824214
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -23.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -268.629135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.629135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.629135 (E_RNA)
where:
Base-Base interactions energy: -180.140
where: short stacking energy: -77.041
Base-Backbone interact. energy: -0.063
local terms energy: -88.425619
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -20.809
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -24.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -253.740064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.740064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.740064 (E_RNA)
where:
Base-Base interactions energy: -169.149
where: short stacking energy: -73.938
Base-Backbone interact. energy: -0.023
local terms energy: -84.568215
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -206.481392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.481392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.481392 (E_RNA)
where:
Base-Base interactions energy: -132.234
where: short stacking energy: -60.993
Base-Backbone interact. energy: 0.359
local terms energy: -74.606849
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -13.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -219.118158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.118158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.118158 (E_RNA)
where:
Base-Base interactions energy: -151.498
where: short stacking energy: -59.615
Base-Backbone interact. energy: -0.139
local terms energy: -67.481876
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -108.425748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.425748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.425748 (E_RNA)
where:
Base-Base interactions energy: -45.235
where: short stacking energy: -39.013
Base-Backbone interact. energy: -0.114
local terms energy: -63.076739
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -100.642068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.642068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.642068 (E_RNA)
where:
Base-Base interactions energy: -49.604
where: short stacking energy: -42.549
Base-Backbone interact. energy: -0.462
local terms energy: -50.575965
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -8.447
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -3.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -90.265654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.265654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.265654 (E_RNA)
where:
Base-Base interactions energy: -37.838
where: short stacking energy: -16.928
Base-Backbone interact. energy: -0.123
local terms energy: -52.304237
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -4.504
tors. eta vs tors. theta energy: 0.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -295.825304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.825304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.825304 (E_RNA)
where:
Base-Base interactions energy: -201.413
where: short stacking energy: -85.320
Base-Backbone interact. energy: 0.037
local terms energy: -94.449698
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -25.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -288.557161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.557161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.557161 (E_RNA)
where:
Base-Base interactions energy: -191.126
where: short stacking energy: -82.375
Base-Backbone interact. energy: -0.001
local terms energy: -97.429488
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -28.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -283.006180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.006180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.006180 (E_RNA)
where:
Base-Base interactions energy: -195.271
where: short stacking energy: -82.300
Base-Backbone interact. energy: -0.050
local terms energy: -87.685563
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -24.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -252.451927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.451927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.451927 (E_RNA)
where:
Base-Base interactions energy: -168.549
where: short stacking energy: -72.573
Base-Backbone interact. energy: -0.257
local terms energy: -83.645832
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -12.399
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: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -271.058350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.058350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.058350 (E_RNA)
where:
Base-Base interactions energy: -175.262
where: short stacking energy: -76.605
Base-Backbone interact. energy: -0.214
local terms energy: -95.582370
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -25.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -212.391190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.391190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.391190 (E_RNA)
where:
Base-Base interactions energy: -136.104
where: short stacking energy: -59.263
Base-Backbone interact. energy: -0.052
local terms energy: -76.235102
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -14.034
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -221.990612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.990612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.990612 (E_RNA)
where:
Base-Base interactions energy: -143.387
where: short stacking energy: -70.895
Base-Backbone interact. energy: -0.130
local terms energy: -78.472856
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -22.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -97.642862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.642862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.642862 (E_RNA)
where:
Base-Base interactions energy: -37.980
where: short stacking energy: -37.980
Base-Backbone interact. energy: -0.179
local terms energy: -59.484407
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -4.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -103.385013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.385013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.385013 (E_RNA)
where:
Base-Base interactions energy: -56.471
where: short stacking energy: -23.626
Base-Backbone interact. energy: 1.451
local terms energy: -48.364924
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -81.343950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.343950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.343950 (E_RNA)
where:
Base-Base interactions energy: -30.709
where: short stacking energy: -30.709
Base-Backbone interact. energy: 1.074
local terms energy: -51.708496
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: 2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -298.703019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.703019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.703019 (E_RNA)
where:
Base-Base interactions energy: -206.565
where: short stacking energy: -82.601
Base-Backbone interact. energy: -0.081
local terms energy: -92.056400
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -25.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -283.202031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.202031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.202031 (E_RNA)
where:
Base-Base interactions energy: -197.809
where: short stacking energy: -78.960
Base-Backbone interact. energy: -0.078
local terms energy: -85.314922
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -24.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -286.111538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.111538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.111538 (E_RNA)
where:
Base-Base interactions energy: -190.636
where: short stacking energy: -87.913
Base-Backbone interact. energy: -0.006
local terms energy: -95.469780
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -26.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -252.449589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.449589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.449589 (E_RNA)
where:
Base-Base interactions energy: -156.813
where: short stacking energy: -72.832
Base-Backbone interact. energy: -0.144
local terms energy: -95.492376
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -20.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -230.596477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.596477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.596477 (E_RNA)
where:
Base-Base interactions energy: -150.250
where: short stacking energy: -78.256
Base-Backbone interact. energy: 0.985
local terms energy: -81.331940
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -24.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -230.181988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.181988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.181988 (E_RNA)
where:
Base-Base interactions energy: -150.442
where: short stacking energy: -66.857
Base-Backbone interact. energy: -0.745
local terms energy: -78.995106
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -15.843
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: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -211.970392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.970392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.970392 (E_RNA)
where:
Base-Base interactions energy: -134.964
where: short stacking energy: -66.383
Base-Backbone interact. energy: -0.050
local terms energy: -76.957120
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -19.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -91.405783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.405783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.405783 (E_RNA)
where:
Base-Base interactions energy: -26.546
where: short stacking energy: -26.546
Base-Backbone interact. energy: -0.093
local terms energy: -64.767430
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -5.824
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: 9, replica: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -101.245938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.245938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.245938 (E_RNA)
where:
Base-Base interactions energy: -32.050
where: short stacking energy: -31.085
Base-Backbone interact. energy: -0.109
local terms energy: -69.086446
where:
bonds (distance) C4'-P energy: -20.247
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -87.011135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.011135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.011135 (E_RNA)
where:
Base-Base interactions energy: -31.857
where: short stacking energy: -31.425
Base-Backbone interact. energy: -0.172
local terms energy: -54.982098
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: -6.790
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: 10
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -289.322380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.322380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.322380 (E_RNA)
where:
Base-Base interactions energy: -197.483
where: short stacking energy: -86.063
Base-Backbone interact. energy: -0.106
local terms energy: -91.733160
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -13.686
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: 2, replica: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -285.476865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.476865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.476865 (E_RNA)
where:
Base-Base interactions energy: -194.143
where: short stacking energy: -84.624
Base-Backbone interact. energy: -0.102
local terms energy: -91.231460
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -8.331
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: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -279.585137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.585137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.585137 (E_RNA)
where:
Base-Base interactions energy: -193.385
where: short stacking energy: -84.645
Base-Backbone interact. energy: 0.630
local terms energy: -86.830525
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -20.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -272.330030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.330030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.330030 (E_RNA)
where:
Base-Base interactions energy: -182.266
where: short stacking energy: -83.530
Base-Backbone interact. energy: -0.101
local terms energy: -89.963438
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -26.573
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: 328
Temperature: 1.100000
Total energy: -254.688561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.688561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.688561 (E_RNA)
where:
Base-Base interactions energy: -174.777
where: short stacking energy: -73.174
Base-Backbone interact. energy: -0.116
local terms energy: -79.796079
where:
bonds (distance) C4'-P energy: -16.753
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -12.246
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: 6, replica: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -216.628981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.628981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.628981 (E_RNA)
where:
Base-Base interactions energy: -141.525
where: short stacking energy: -64.495
Base-Backbone interact. energy: -0.092
local terms energy: -75.011973
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -20.571
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: 328
Temperature: 1.200000
Total energy: -209.662314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.662314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.662314 (E_RNA)
where:
Base-Base interactions energy: -130.377
where: short stacking energy: -54.799
Base-Backbone interact. energy: -1.082
local terms energy: -78.203200
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -15.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -95.321703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.321703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.321703 (E_RNA)
where:
Base-Base interactions energy: -27.350
where: short stacking energy: -25.898
Base-Backbone interact. energy: -0.100
local terms energy: -67.871856
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -97.237654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.237654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.237654 (E_RNA)
where:
Base-Base interactions energy: -32.383
where: short stacking energy: -27.128
Base-Backbone interact. energy: -0.218
local terms energy: -64.636125
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -8.621
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: 10, replica: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -91.274419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.274419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.274419 (E_RNA)
where:
Base-Base interactions energy: -31.601
where: short stacking energy: -29.068
Base-Backbone interact. energy: -0.040
local terms energy: -59.633201
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -6.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -301.496863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.496863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.496863 (E_RNA)
where:
Base-Base interactions energy: -206.054
where: short stacking energy: -85.183
Base-Backbone interact. energy: -0.055
local terms energy: -95.387810
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -27.913
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: 2, replica: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -283.911877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.911877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.911877 (E_RNA)
where:
Base-Base interactions energy: -190.512
where: short stacking energy: -81.118
Base-Backbone interact. energy: 0.502
local terms energy: -93.901626
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -19.176
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -23.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -273.381556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.381556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.381556 (E_RNA)
where:
Base-Base interactions energy: -185.927
where: short stacking energy: -75.385
Base-Backbone interact. energy: -0.646
local terms energy: -86.807739
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -12.112
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: 4, replica: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -273.634646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.634646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.634646 (E_RNA)
where:
Base-Base interactions energy: -177.505
where: short stacking energy: -80.919
Base-Backbone interact. energy: -0.062
local terms energy: -96.067923
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -21.233
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -24.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -275.266685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.266685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.266685 (E_RNA)
where:
Base-Base interactions energy: -186.371
where: short stacking energy: -81.441
Base-Backbone interact. energy: -0.186
local terms energy: -88.709392
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -28.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -217.842231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.842231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.842231 (E_RNA)
where:
Base-Base interactions energy: -134.825
where: short stacking energy: -60.006
Base-Backbone interact. energy: 0.699
local terms energy: -83.716392
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -14.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -212.824005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.824005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.824005 (E_RNA)
where:
Base-Base interactions energy: -135.317
where: short stacking energy: -51.528
Base-Backbone interact. energy: -0.630
local terms energy: -76.877028
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -12.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -99.859877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.859877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.859877 (E_RNA)
where:
Base-Base interactions energy: -29.597
where: short stacking energy: -29.597
Base-Backbone interact. energy: -0.064
local terms energy: -70.198695
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -9.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -129.765411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.765411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.765411 (E_RNA)
where:
Base-Base interactions energy: -62.461
where: short stacking energy: -28.600
Base-Backbone interact. energy: -0.150
local terms energy: -67.154484
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -10.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -162.908802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.908802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.908802 (E_RNA)
where:
Base-Base interactions energy: -101.316
where: short stacking energy: -45.273
Base-Backbone interact. energy: 0.618
local terms energy: -62.210355
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -10.260
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: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -291.591443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.591443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.591443 (E_RNA)
where:
Base-Base interactions energy: -196.261
where: short stacking energy: -88.818
Base-Backbone interact. energy: -0.104
local terms energy: -95.226124
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -26.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -291.094168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.094168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.094168 (E_RNA)
where:
Base-Base interactions energy: -197.306
where: short stacking energy: -86.150
Base-Backbone interact. energy: -0.012
local terms energy: -93.776648
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -20.497
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -27.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -280.850211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.850211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.850211 (E_RNA)
where:
Base-Base interactions energy: -185.358
where: short stacking energy: -74.270
Base-Backbone interact. energy: 0.224
local terms energy: -95.715411
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -25.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -278.676706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.676706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.676706 (E_RNA)
where:
Base-Base interactions energy: -184.912
where: short stacking energy: -78.991
Base-Backbone interact. energy: -0.457
local terms energy: -93.307825
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -23.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -269.633265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.633265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.633265 (E_RNA)
where:
Base-Base interactions energy: -182.470
where: short stacking energy: -89.229
Base-Backbone interact. energy: -0.002
local terms energy: -87.160677
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -25.321
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: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -217.513138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.513138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.513138 (E_RNA)
where:
Base-Base interactions energy: -138.763
where: short stacking energy: -59.261
Base-Backbone interact. energy: -0.157
local terms energy: -78.593783
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -5.651
tors. eta vs tors. theta energy: -15.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -210.579241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.579241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.579241 (E_RNA)
where:
Base-Base interactions energy: -131.254
where: short stacking energy: -56.451
Base-Backbone interact. energy: -0.091
local terms energy: -79.234304
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -17.936
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: 2
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -96.036229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.036229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.036229 (E_RNA)
where:
Base-Base interactions energy: -30.390
where: short stacking energy: -24.532
Base-Backbone interact. energy: -0.186
local terms energy: -65.459962
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -200.748935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.748935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.748935 (E_RNA)
where:
Base-Base interactions energy: -129.884
where: short stacking energy: -51.330
Base-Backbone interact. energy: 0.023
local terms energy: -70.887599
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -4.527
tors. eta vs tors. theta energy: -12.316
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: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -128.700153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.700153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.700153 (E_RNA)
where:
Base-Base interactions energy: -65.369
where: short stacking energy: -31.528
Base-Backbone interact. energy: -0.118
local terms energy: -63.213382
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -296.702544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.702544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.702544 (E_RNA)
where:
Base-Base interactions energy: -206.196
where: short stacking energy: -86.042
Base-Backbone interact. energy: -0.137
local terms energy: -90.369291
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -27.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -275.337051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.337051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.337051 (E_RNA)
where:
Base-Base interactions energy: -186.788
where: short stacking energy: -81.014
Base-Backbone interact. energy: -0.016
local terms energy: -88.532379
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -24.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -284.892322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.892322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.892322 (E_RNA)
where:
Base-Base interactions energy: -190.427
where: short stacking energy: -87.708
Base-Backbone interact. energy: -0.278
local terms energy: -94.187050
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -26.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -275.750385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.750385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.750385 (E_RNA)
where:
Base-Base interactions energy: -186.855
where: short stacking energy: -83.856
Base-Backbone interact. energy: -0.073
local terms energy: -88.822340
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -23.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -280.515232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.515232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.515232 (E_RNA)
where:
Base-Base interactions energy: -197.578
where: short stacking energy: -78.242
Base-Backbone interact. energy: -0.344
local terms energy: -82.592777
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -19.988
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -24.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -213.343647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.343647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.343647 (E_RNA)
where:
Base-Base interactions energy: -140.742
where: short stacking energy: -59.311
Base-Backbone interact. energy: -0.195
local terms energy: -72.406858
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -14.899
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: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -213.074772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.074772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.074772 (E_RNA)
where:
Base-Base interactions energy: -132.255
where: short stacking energy: -60.836
Base-Backbone interact. energy: -0.894
local terms energy: -79.925599
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -10.383
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: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -220.006781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.006781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.006781 (E_RNA)
where:
Base-Base interactions energy: -136.166
where: short stacking energy: -61.893
Base-Backbone interact. energy: -0.001
local terms energy: -83.840454
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -20.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -88.416191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.416191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.416191 (E_RNA)
where:
Base-Base interactions energy: -41.128
where: short stacking energy: -33.526
Base-Backbone interact. energy: -0.167
local terms energy: -47.121009
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -4.537
tors. eta vs tors. theta energy: -3.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -106.227719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.227719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.227719 (E_RNA)
where:
Base-Base interactions energy: -41.338
where: short stacking energy: -41.338
Base-Backbone interact. energy: -0.015
local terms energy: -64.874445
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -7.952
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: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -286.177936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.177936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.177936 (E_RNA)
where:
Base-Base interactions energy: -195.303
where: short stacking energy: -91.597
Base-Backbone interact. energy: -0.061
local terms energy: -90.813620
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -25.552
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: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -286.090674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.090674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.090674 (E_RNA)
where:
Base-Base interactions energy: -185.610
where: short stacking energy: -88.497
Base-Backbone interact. energy: -0.027
local terms energy: -100.453854
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -27.679
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: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -282.737436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.737436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.737436 (E_RNA)
where:
Base-Base interactions energy: -189.959
where: short stacking energy: -75.600
Base-Backbone interact. energy: -0.274
local terms energy: -92.504437
where:
bonds (distance) C4'-P energy: -20.456
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -19.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -279.040007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.040007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.040007 (E_RNA)
where:
Base-Base interactions energy: -177.662
where: short stacking energy: -84.289
Base-Backbone interact. energy: -2.442
local terms energy: -98.935790
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -26.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -253.147642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.147642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.147642 (E_RNA)
where:
Base-Base interactions energy: -174.529
where: short stacking energy: -79.417
Base-Backbone interact. energy: -0.212
local terms energy: -78.406427
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -19.992
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: 332
Temperature: 1.150000
Total energy: -225.240821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.240821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.240821 (E_RNA)
where:
Base-Base interactions energy: -142.333
where: short stacking energy: -69.572
Base-Backbone interact. energy: -0.097
local terms energy: -82.810771
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -16.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -205.901230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.901230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.901230 (E_RNA)
where:
Base-Base interactions energy: -131.825
where: short stacking energy: -63.534
Base-Backbone interact. energy: 0.773
local terms energy: -74.849835
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -13.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -207.944329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.944329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.944329 (E_RNA)
where:
Base-Base interactions energy: -134.915
where: short stacking energy: -65.419
Base-Backbone interact. energy: -0.220
local terms energy: -72.809688
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -101.185048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.185048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.185048 (E_RNA)
where:
Base-Base interactions energy: -39.978
where: short stacking energy: -34.286
Base-Backbone interact. energy: -0.687
local terms energy: -60.519841
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -7.871
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -5.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -89.486471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.486471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.486471 (E_RNA)
where:
Base-Base interactions energy: -18.113
where: short stacking energy: -18.113
Base-Backbone interact. energy: -0.636
local terms energy: -70.737860
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -290.274450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.274450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.274450 (E_RNA)
where:
Base-Base interactions energy: -189.027
where: short stacking energy: -92.019
Base-Backbone interact. energy: -1.258
local terms energy: -99.989007
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -20.479
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: -28.516
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: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -293.099662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.099662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.099662 (E_RNA)
where:
Base-Base interactions energy: -198.974
where: short stacking energy: -83.230
Base-Backbone interact. energy: 1.238
local terms energy: -95.363522
where:
bonds (distance) C4'-P energy: -18.973
bonds (distance) P-C4' energy: -21.145
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -21.253
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: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -274.830206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.830206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.830206 (E_RNA)
where:
Base-Base interactions energy: -175.454
where: short stacking energy: -87.833
Base-Backbone interact. energy: -1.242
local terms energy: -98.134447
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -23.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -279.432395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.432395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.432395 (E_RNA)
where:
Base-Base interactions energy: -182.841
where: short stacking energy: -85.117
Base-Backbone interact. energy: -0.593
local terms energy: -95.998199
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -15.306
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: 5, replica: 7
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -241.574684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.574684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.574684 (E_RNA)
where:
Base-Base interactions energy: -159.075
where: short stacking energy: -65.239
Base-Backbone interact. energy: -0.114
local terms energy: -82.386018
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -16.705
tors. eta vs tors. theta energy: -18.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -223.724776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.724776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.724776 (E_RNA)
where:
Base-Base interactions energy: -151.002
where: short stacking energy: -60.423
Base-Backbone interact. energy: -0.821
local terms energy: -71.901156
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -7.615
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: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -204.062442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.062442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.062442 (E_RNA)
where:
Base-Base interactions energy: -119.015
where: short stacking energy: -57.446
Base-Backbone interact. energy: -0.028
local terms energy: -85.019602
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -15.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -180.003347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.003347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.003347 (E_RNA)
where:
Base-Base interactions energy: -107.919
where: short stacking energy: -39.259
Base-Backbone interact. energy: -0.069
local terms energy: -72.015763
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -7.666
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: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -97.699128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.699128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.699128 (E_RNA)
where:
Base-Base interactions energy: -42.574
where: short stacking energy: -19.106
Base-Backbone interact. energy: -0.158
local terms energy: -54.966442
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: 1.583
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: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -87.144507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.144507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.144507 (E_RNA)
where:
Base-Base interactions energy: -30.699
where: short stacking energy: -26.886
Base-Backbone interact. energy: 0.844
local terms energy: -57.289377
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -2.784
tors. eta vs tors. theta energy: -1.862
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: 1, replica: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -301.842286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.842286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.842286 (E_RNA)
where:
Base-Base interactions energy: -202.327
where: short stacking energy: -85.402
Base-Backbone interact. energy: -0.477
local terms energy: -99.038786
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -28.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -286.872752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.872752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.872752 (E_RNA)
where:
Base-Base interactions energy: -197.472
where: short stacking energy: -85.605
Base-Backbone interact. energy: -0.126
local terms energy: -89.274546
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -24.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -283.580152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.580152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.580152 (E_RNA)
where:
Base-Base interactions energy: -193.699
where: short stacking energy: -79.050
Base-Backbone interact. energy: -0.013
local terms energy: -89.868899
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -24.276
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: 4, replica: 10
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -278.176908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.176908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.176908 (E_RNA)
where:
Base-Base interactions energy: -180.483
where: short stacking energy: -84.877
Base-Backbone interact. energy: -1.456
local terms energy: -96.238526
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -15.048
tors. eta vs tors. theta energy: -29.057
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: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -227.712881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.712881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.712881 (E_RNA)
where:
Base-Base interactions energy: -144.113
where: short stacking energy: -69.001
Base-Backbone interact. energy: -0.469
local terms energy: -83.130964
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -257.698767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.698767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.698767 (E_RNA)
where:
Base-Base interactions energy: -167.838
where: short stacking energy: -72.995
Base-Backbone interact. energy: -0.120
local terms energy: -89.740550
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -15.295
tors. eta vs tors. theta energy: -19.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -179.193465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.193465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.193465 (E_RNA)
where:
Base-Base interactions energy: -112.492
where: short stacking energy: -46.589
Base-Backbone interact. energy: -0.118
local terms energy: -66.583115
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -215.036314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.036314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.036314 (E_RNA)
where:
Base-Base interactions energy: -135.577
where: short stacking energy: -55.590
Base-Backbone interact. energy: -0.100
local terms energy: -79.359495
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -88.073832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.073832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.073832 (E_RNA)
where:
Base-Base interactions energy: -31.410
where: short stacking energy: -26.524
Base-Backbone interact. energy: -0.506
local terms energy: -56.158154
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -1.653
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: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -91.764078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.764078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.764078 (E_RNA)
where:
Base-Base interactions energy: -37.239
where: short stacking energy: -28.414
Base-Backbone interact. energy: -1.480
local terms energy: -53.044608
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: 6.509
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: 1, replica: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -300.062796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.062796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.062796 (E_RNA)
where:
Base-Base interactions energy: -210.712
where: short stacking energy: -85.051
Base-Backbone interact. energy: -0.088
local terms energy: -89.262705
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -28.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -295.873571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.873571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.873571 (E_RNA)
where:
Base-Base interactions energy: -198.818
where: short stacking energy: -85.412
Base-Backbone interact. energy: -0.007
local terms energy: -97.049242
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -24.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -291.982911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.982911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.982911 (E_RNA)
where:
Base-Base interactions energy: -191.867
where: short stacking energy: -87.215
Base-Backbone interact. energy: -0.425
local terms energy: -99.690640
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -28.733
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: 335
Temperature: 1.050000
Total energy: -264.131149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.131149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.131149 (E_RNA)
where:
Base-Base interactions energy: -177.119
where: short stacking energy: -74.381
Base-Backbone interact. energy: -0.271
local terms energy: -86.741185
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -20.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -223.193106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.193106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.193106 (E_RNA)
where:
Base-Base interactions energy: -140.115
where: short stacking energy: -55.460
Base-Backbone interact. energy: -0.245
local terms energy: -82.833064
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -16.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -242.702562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.702562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.702562 (E_RNA)
where:
Base-Base interactions energy: -156.298
where: short stacking energy: -61.410
Base-Backbone interact. energy: -0.314
local terms energy: -86.091272
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -167.238625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.238625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.238625 (E_RNA)
where:
Base-Base interactions energy: -94.642
where: short stacking energy: -44.024
Base-Backbone interact. energy: -0.188
local terms energy: -72.408467
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -13.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -200.030091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.030091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.030091 (E_RNA)
where:
Base-Base interactions energy: -129.920
where: short stacking energy: -59.265
Base-Backbone interact. energy: -0.168
local terms energy: -69.942068
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -14.183
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: 2
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -100.803941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.803941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.803941 (E_RNA)
where:
Base-Base interactions energy: -43.985
where: short stacking energy: -25.124
Base-Backbone interact. energy: -0.332
local terms energy: -56.486134
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -87.313209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.313209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.313209 (E_RNA)
where:
Base-Base interactions energy: -33.268
where: short stacking energy: -25.781
Base-Backbone interact. energy: -0.015
local terms energy: -54.031179
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: 0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -297.940778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.940778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.940778 (E_RNA)
where:
Base-Base interactions energy: -200.700
where: short stacking energy: -88.489
Base-Backbone interact. energy: -0.089
local terms energy: -97.151494
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -26.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -292.988495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.988495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.988495 (E_RNA)
where:
Base-Base interactions energy: -202.527
where: short stacking energy: -90.967
Base-Backbone interact. energy: -0.054
local terms energy: -90.407243
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -27.102
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: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -281.172613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.172613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.172613 (E_RNA)
where:
Base-Base interactions energy: -187.789
where: short stacking energy: -79.165
Base-Backbone interact. energy: -0.268
local terms energy: -93.114786
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -24.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -271.800373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.800373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.800373 (E_RNA)
where:
Base-Base interactions energy: -182.257
where: short stacking energy: -72.486
Base-Backbone interact. energy: -0.052
local terms energy: -89.490758
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -246.374683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.374683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.374683 (E_RNA)
where:
Base-Base interactions energy: -159.091
where: short stacking energy: -81.010
Base-Backbone interact. energy: -0.092
local terms energy: -87.191124
where:
bonds (distance) C4'-P energy: -8.111
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -24.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -214.858595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.858595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.858595 (E_RNA)
where:
Base-Base interactions energy: -128.579
where: short stacking energy: -59.452
Base-Backbone interact. energy: -0.124
local terms energy: -86.155900
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -17.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -218.142479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.142479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.142479 (E_RNA)
where:
Base-Base interactions energy: -141.839
where: short stacking energy: -61.159
Base-Backbone interact. energy: -0.694
local terms energy: -75.609897
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -20.251
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -14.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -192.345374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.345374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.345374 (E_RNA)
where:
Base-Base interactions energy: -113.945
where: short stacking energy: -54.643
Base-Backbone interact. energy: -0.537
local terms energy: -77.863118
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -97.083162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.083162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.083162 (E_RNA)
where:
Base-Base interactions energy: -41.813
where: short stacking energy: -21.866
Base-Backbone interact. energy: -0.564
local terms energy: -54.706509
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: 2.489
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: 2
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -103.614500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.614500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.614500 (E_RNA)
where:
Base-Base interactions energy: -35.404
where: short stacking energy: -32.672
Base-Backbone interact. energy: 0.704
local terms energy: -68.914243
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -5.070
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: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -293.043130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.043130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.043130 (E_RNA)
where:
Base-Base interactions energy: -198.143
where: short stacking energy: -87.507
Base-Backbone interact. energy: -0.994
local terms energy: -93.906180
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -25.871
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: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -293.863538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.863538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.863538 (E_RNA)
where:
Base-Base interactions energy: -206.298
where: short stacking energy: -87.334
Base-Backbone interact. energy: -0.746
local terms energy: -86.819869
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -23.710
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: 3, replica: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -290.084414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.084414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.084414 (E_RNA)
where:
Base-Base interactions energy: -200.883
where: short stacking energy: -80.795
Base-Backbone interact. energy: -0.010
local terms energy: -89.191354
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -24.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -258.162080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.162080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.162080 (E_RNA)
where:
Base-Base interactions energy: -173.679
where: short stacking energy: -76.159
Base-Backbone interact. energy: -0.054
local terms energy: -84.428445
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -23.171
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: 5, replica: 10
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -252.336020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.336020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.336020 (E_RNA)
where:
Base-Base interactions energy: -169.839
where: short stacking energy: -71.499
Base-Backbone interact. energy: -0.034
local terms energy: -82.463502
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -19.798
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -15.310
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: 337
Temperature: 1.150000
Total energy: -223.312318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.312318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.312318 (E_RNA)
where:
Base-Base interactions energy: -136.845
where: short stacking energy: -64.434
Base-Backbone interact. energy: -0.040
local terms energy: -86.427125
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -18.392
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: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -197.624490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.624490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.624490 (E_RNA)
where:
Base-Base interactions energy: -126.929
where: short stacking energy: -52.562
Base-Backbone interact. energy: -0.619
local terms energy: -70.076023
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -15.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -219.599047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.599047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.599047 (E_RNA)
where:
Base-Base interactions energy: -141.455
where: short stacking energy: -72.022
Base-Backbone interact. energy: -0.053
local terms energy: -78.090798
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -19.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -98.348009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.348009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.348009 (E_RNA)
where:
Base-Base interactions energy: -43.486
where: short stacking energy: -24.252
Base-Backbone interact. energy: 4.227
local terms energy: -59.088531
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -101.175161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.175161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.175161 (E_RNA)
where:
Base-Base interactions energy: -38.333
where: short stacking energy: -32.261
Base-Backbone interact. energy: -0.260
local terms energy: -62.581908
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -296.294916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.294916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.294916 (E_RNA)
where:
Base-Base interactions energy: -202.112
where: short stacking energy: -84.430
Base-Backbone interact. energy: -0.105
local terms energy: -94.077909
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -16.943
tors. eta vs tors. theta energy: -25.309
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: 3
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -280.981185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.981185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.981185 (E_RNA)
where:
Base-Base interactions energy: -192.543
where: short stacking energy: -92.758
Base-Backbone interact. energy: 2.789
local terms energy: -91.227343
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -26.298
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: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -286.704310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.704310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.704310 (E_RNA)
where:
Base-Base interactions energy: -197.430
where: short stacking energy: -83.134
Base-Backbone interact. energy: -0.042
local terms energy: -89.231908
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -23.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -246.588078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.588078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.588078 (E_RNA)
where:
Base-Base interactions energy: -157.313
where: short stacking energy: -66.726
Base-Backbone interact. energy: -0.574
local terms energy: -88.701350
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -21.474
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -21.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -240.998825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.998825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.998825 (E_RNA)
where:
Base-Base interactions energy: -165.658
where: short stacking energy: -67.669
Base-Backbone interact. energy: -0.035
local terms energy: -75.305938
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -14.054
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: 338
Temperature: 1.150000
Total energy: -205.225201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.225201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.225201 (E_RNA)
where:
Base-Base interactions energy: -136.205
where: short stacking energy: -51.745
Base-Backbone interact. energy: -0.170
local terms energy: -68.850116
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -12.120
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: 7, replica: 4
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -229.520116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.520116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.520116 (E_RNA)
where:
Base-Base interactions energy: -141.847
where: short stacking energy: -64.433
Base-Backbone interact. energy: -0.006
local terms energy: -87.666975
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -206.193521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.193521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.193521 (E_RNA)
where:
Base-Base interactions energy: -133.123
where: short stacking energy: -58.945
Base-Backbone interact. energy: -0.188
local terms energy: -72.882495
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -105.682023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.682023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.682023 (E_RNA)
where:
Base-Base interactions energy: -45.050
where: short stacking energy: -43.426
Base-Backbone interact. energy: -0.403
local terms energy: -60.229008
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -5.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -85.145200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.145200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.145200 (E_RNA)
where:
Base-Base interactions energy: -33.894
where: short stacking energy: -31.140
Base-Backbone interact. energy: -0.284
local terms energy: -50.966623
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: 1.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -285.344638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.344638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.344638 (E_RNA)
where:
Base-Base interactions energy: -178.293
where: short stacking energy: -79.537
Base-Backbone interact. energy: -0.036
local terms energy: -107.015891
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -21.546
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: -29.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -295.386888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.386888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.386888 (E_RNA)
where:
Base-Base interactions energy: -197.958
where: short stacking energy: -80.679
Base-Backbone interact. energy: -0.128
local terms energy: -97.301304
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -27.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -284.110789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.110789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.110789 (E_RNA)
where:
Base-Base interactions energy: -182.029
where: short stacking energy: -87.605
Base-Backbone interact. energy: -1.791
local terms energy: -100.290448
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -30.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -253.234735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.234735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.234735 (E_RNA)
where:
Base-Base interactions energy: -168.234
where: short stacking energy: -62.787
Base-Backbone interact. energy: -0.409
local terms energy: -84.591709
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -270.957626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.957626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.957626 (E_RNA)
where:
Base-Base interactions energy: -180.352
where: short stacking energy: -86.771
Base-Backbone interact. energy: 0.162
local terms energy: -90.766887
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -23.266
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: 4
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -215.394727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.394727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.394727 (E_RNA)
where:
Base-Base interactions energy: -132.762
where: short stacking energy: -66.673
Base-Backbone interact. energy: -0.134
local terms energy: -82.497938
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -17.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -218.707821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.707821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.707821 (E_RNA)
where:
Base-Base interactions energy: -137.542
where: short stacking energy: -71.796
Base-Backbone interact. energy: -0.126
local terms energy: -81.039342
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -170.016539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.016539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.016539 (E_RNA)
where:
Base-Base interactions energy: -107.031
where: short stacking energy: -36.535
Base-Backbone interact. energy: -0.346
local terms energy: -62.639773
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -98.326492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.326492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.326492 (E_RNA)
where:
Base-Base interactions energy: -39.626
where: short stacking energy: -30.543
Base-Backbone interact. energy: 0.553
local terms energy: -59.253637
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -4.318
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: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -99.700440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.700440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.700440 (E_RNA)
where:
Base-Base interactions energy: -48.280
where: short stacking energy: -24.911
Base-Backbone interact. energy: 0.713
local terms energy: -52.133944
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -7.564
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: 0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -298.668080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.668080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.668080 (E_RNA)
where:
Base-Base interactions energy: -204.707
where: short stacking energy: -90.789
Base-Backbone interact. energy: -0.554
local terms energy: -93.407280
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -15.177
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: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -288.495184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.495184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.495184 (E_RNA)
where:
Base-Base interactions energy: -189.972
where: short stacking energy: -85.869
Base-Backbone interact. energy: -0.538
local terms energy: -97.985588
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -26.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -267.291545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.291545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.291545 (E_RNA)
where:
Base-Base interactions energy: -176.761
where: short stacking energy: -76.075
Base-Backbone interact. energy: -0.496
local terms energy: -90.034196
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -18.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -275.317730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.317730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.317730 (E_RNA)
where:
Base-Base interactions energy: -184.502
where: short stacking energy: -78.962
Base-Backbone interact. energy: -0.064
local terms energy: -90.752183
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -26.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -268.902334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.902334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.902334 (E_RNA)
where:
Base-Base interactions energy: -178.743
where: short stacking energy: -78.234
Base-Backbone interact. energy: -0.217
local terms energy: -89.942370
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -212.189531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.189531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.189531 (E_RNA)
where:
Base-Base interactions energy: -128.585
where: short stacking energy: -65.389
Base-Backbone interact. energy: -0.088
local terms energy: -83.516256
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -207.467079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.467079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.467079 (E_RNA)
where:
Base-Base interactions energy: -130.742
where: short stacking energy: -48.870
Base-Backbone interact. energy: -0.185
local terms energy: -76.539614
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -13.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -188.045124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.045124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.045124 (E_RNA)
where:
Base-Base interactions energy: -123.229
where: short stacking energy: -51.133
Base-Backbone interact. energy: -0.143
local terms energy: -64.672956
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -6.556
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: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -105.355960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.355960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.355960 (E_RNA)
where:
Base-Base interactions energy: -51.541
where: short stacking energy: -35.345
Base-Backbone interact. energy: -0.318
local terms energy: -53.497215
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: 0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -82.694331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.694331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.694331 (E_RNA)
where:
Base-Base interactions energy: -27.301
where: short stacking energy: -27.301
Base-Backbone interact. energy: -0.267
local terms energy: -55.125963
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -0.681
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: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -296.550889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.550889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.550889 (E_RNA)
where:
Base-Base interactions energy: -198.130
where: short stacking energy: -92.087
Base-Backbone interact. energy: -0.032
local terms energy: -98.389025
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -22.170
flat angles P-C4'-P energy: -16.647
tors. eta vs tors. theta energy: -25.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -294.943060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.943060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.943060 (E_RNA)
where:
Base-Base interactions energy: -204.048
where: short stacking energy: -83.371
Base-Backbone interact. energy: -0.139
local terms energy: -90.756359
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -24.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -285.040729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.040729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.040729 (E_RNA)
where:
Base-Base interactions energy: -194.702
where: short stacking energy: -77.029
Base-Backbone interact. energy: -0.074
local terms energy: -90.265366
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -21.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -272.847475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.847475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.847475 (E_RNA)
where:
Base-Base interactions energy: -184.551
where: short stacking energy: -82.650
Base-Backbone interact. energy: -0.028
local terms energy: -88.268943
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -23.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -274.413024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.413024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.413024 (E_RNA)
where:
Base-Base interactions energy: -178.424
where: short stacking energy: -79.858
Base-Backbone interact. energy: -0.236
local terms energy: -95.752858
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -23.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -216.236477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.236477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.236477 (E_RNA)
where:
Base-Base interactions energy: -139.307
where: short stacking energy: -63.324
Base-Backbone interact. energy: -0.011
local terms energy: -76.919285
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -19.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -196.662602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.662602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.662602 (E_RNA)
where:
Base-Base interactions energy: -117.358
where: short stacking energy: -61.650
Base-Backbone interact. energy: 1.326
local terms energy: -80.630140
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -13.481
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: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -192.008850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.008850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.008850 (E_RNA)
where:
Base-Base interactions energy: -120.085
where: short stacking energy: -45.288
Base-Backbone interact. energy: -0.096
local terms energy: -71.827697
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -14.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -149.300452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.300452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.300452 (E_RNA)
where:
Base-Base interactions energy: -87.289
where: short stacking energy: -39.382
Base-Backbone interact. energy: -0.119
local terms energy: -61.891789
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -8.010
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: 10, replica: 2
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -105.525016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.525016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.525016 (E_RNA)
where:
Base-Base interactions energy: -50.582
where: short stacking energy: -17.170
Base-Backbone interact. energy: -0.052
local terms energy: -54.890343
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -310.627566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.627566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.627566 (E_RNA)
where:
Base-Base interactions energy: -214.184
where: short stacking energy: -90.458
Base-Backbone interact. energy: -0.096
local terms energy: -96.347783
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -20.104
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -27.233
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: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -290.529322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.529322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.529322 (E_RNA)
where:
Base-Base interactions energy: -191.032
where: short stacking energy: -85.081
Base-Backbone interact. energy: -0.096
local terms energy: -99.401458
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -20.743
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -26.807
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: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -282.273379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.273379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.273379 (E_RNA)
where:
Base-Base interactions energy: -190.685
where: short stacking energy: -79.149
Base-Backbone interact. energy: -0.101
local terms energy: -91.487495
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -22.067
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -22.862
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: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -253.147663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.147663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.147663 (E_RNA)
where:
Base-Base interactions energy: -169.420
where: short stacking energy: -74.500
Base-Backbone interact. energy: -0.077
local terms energy: -83.650860
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -278.798927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.798927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.798927 (E_RNA)
where:
Base-Base interactions energy: -187.971
where: short stacking energy: -86.423
Base-Backbone interact. energy: -0.079
local terms energy: -90.748589
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -27.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -222.876150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.876150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.876150 (E_RNA)
where:
Base-Base interactions energy: -140.907
where: short stacking energy: -67.312
Base-Backbone interact. energy: -0.245
local terms energy: -81.724322
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -19.581
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: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -221.973023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.973023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.973023 (E_RNA)
where:
Base-Base interactions energy: -141.191
where: short stacking energy: -63.569
Base-Backbone interact. energy: -0.219
local terms energy: -80.563966
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -14.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -216.162150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.162150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.162150 (E_RNA)
where:
Base-Base interactions energy: -136.712
where: short stacking energy: -70.664
Base-Backbone interact. energy: -0.500
local terms energy: -78.950122
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -23.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -181.608703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.608703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.608703 (E_RNA)
where:
Base-Base interactions energy: -116.602
where: short stacking energy: -48.876
Base-Backbone interact. energy: -0.003
local terms energy: -65.003559
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -15.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -96.373340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.373340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.373340 (E_RNA)
where:
Base-Base interactions energy: -33.369
where: short stacking energy: -31.198
Base-Backbone interact. energy: -0.106
local terms energy: -62.898160
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -1.030
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: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -302.035439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.035439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.035439 (E_RNA)
where:
Base-Base interactions energy: -203.897
where: short stacking energy: -87.525
Base-Backbone interact. energy: -0.087
local terms energy: -98.052249
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -26.891
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: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -283.639399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.639399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.639399 (E_RNA)
where:
Base-Base interactions energy: -182.448
where: short stacking energy: -75.183
Base-Backbone interact. energy: -0.056
local terms energy: -101.135219
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -25.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -282.680766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.680766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.680766 (E_RNA)
where:
Base-Base interactions energy: -189.095
where: short stacking energy: -86.628
Base-Backbone interact. energy: -0.054
local terms energy: -93.531671
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -28.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -250.265790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.265790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.265790 (E_RNA)
where:
Base-Base interactions energy: -175.488
where: short stacking energy: -71.111
Base-Backbone interact. energy: -0.331
local terms energy: -74.447110
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -9.940
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: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -248.058166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.058166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.058166 (E_RNA)
where:
Base-Base interactions energy: -163.397
where: short stacking energy: -66.064
Base-Backbone interact. energy: -0.102
local terms energy: -84.558767
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -21.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -220.543047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.543047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.543047 (E_RNA)
where:
Base-Base interactions energy: -143.158
where: short stacking energy: -68.789
Base-Backbone interact. energy: -0.010
local terms energy: -77.375494
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -16.754
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: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -207.395311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.395311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.395311 (E_RNA)
where:
Base-Base interactions energy: -136.142
where: short stacking energy: -58.566
Base-Backbone interact. energy: -0.223
local terms energy: -71.029531
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -10.201
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: 343
Temperature: 1.250000
Total energy: -194.171676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.171676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.171676 (E_RNA)
where:
Base-Base interactions energy: -119.122
where: short stacking energy: -55.702
Base-Backbone interact. energy: 1.413
local terms energy: -76.462468
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -206.429840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.429840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.429840 (E_RNA)
where:
Base-Base interactions energy: -130.451
where: short stacking energy: -52.017
Base-Backbone interact. energy: -0.183
local terms energy: -75.795987
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -85.704054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.704054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.704054 (E_RNA)
where:
Base-Base interactions energy: -40.036
where: short stacking energy: -34.850
Base-Backbone interact. energy: -0.764
local terms energy: -44.904476
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -4.783
tors. eta vs tors. theta energy: 0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -302.121012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.121012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.121012 (E_RNA)
where:
Base-Base interactions energy: -200.738
where: short stacking energy: -89.784
Base-Backbone interact. energy: -0.727
local terms energy: -100.656907
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -26.869
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: 10
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -294.118389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.118389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.118389 (E_RNA)
where:
Base-Base interactions energy: -194.995
where: short stacking energy: -83.143
Base-Backbone interact. energy: -1.678
local terms energy: -97.444917
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -20.494
flat angles P-C4'-P energy: -15.270
tors. eta vs tors. theta energy: -25.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -256.063623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.063623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.063623 (E_RNA)
where:
Base-Base interactions energy: -182.622
where: short stacking energy: -65.784
Base-Backbone interact. energy: -0.189
local terms energy: -73.251879
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -15.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -269.737080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.737080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.737080 (E_RNA)
where:
Base-Base interactions energy: -178.402
where: short stacking energy: -80.402
Base-Backbone interact. energy: -0.039
local terms energy: -91.296266
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -10.399
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: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -257.223206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.223206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.223206 (E_RNA)
where:
Base-Base interactions energy: -171.686
where: short stacking energy: -69.651
Base-Backbone interact. energy: -0.713
local terms energy: -84.824235
where:
bonds (distance) C4'-P energy: -18.665
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -19.582
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: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -224.958087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.958087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.958087 (E_RNA)
where:
Base-Base interactions energy: -136.510
where: short stacking energy: -61.047
Base-Backbone interact. energy: -0.039
local terms energy: -88.408766
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -24.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -222.748333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.748333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.748333 (E_RNA)
where:
Base-Base interactions energy: -148.545
where: short stacking energy: -65.869
Base-Backbone interact. energy: -0.046
local terms energy: -74.156658
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -19.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -209.493315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.493315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.493315 (E_RNA)
where:
Base-Base interactions energy: -131.580
where: short stacking energy: -50.863
Base-Backbone interact. energy: -0.407
local terms energy: -77.505590
where:
bonds (distance) C4'-P energy: -19.868
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -14.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -193.331216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.331216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.331216 (E_RNA)
where:
Base-Base interactions energy: -131.770
where: short stacking energy: -50.460
Base-Backbone interact. energy: -0.112
local terms energy: -61.449043
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -4.273
tors. eta vs tors. theta energy: -11.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -85.714647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.714647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.714647 (E_RNA)
where:
Base-Base interactions energy: -33.448
where: short stacking energy: -17.634
Base-Backbone interact. energy: 0.994
local terms energy: -53.260241
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: 2.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -301.594139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.594139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.594139 (E_RNA)
where:
Base-Base interactions energy: -203.233
where: short stacking energy: -78.817
Base-Backbone interact. energy: -0.657
local terms energy: -97.704548
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -28.402
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: 2, replica: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -298.023394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.023394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.023394 (E_RNA)
where:
Base-Base interactions energy: -203.983
where: short stacking energy: -88.501
Base-Backbone interact. energy: -0.886
local terms energy: -93.154658
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -26.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -272.480770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.480770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.480770 (E_RNA)
where:
Base-Base interactions energy: -181.184
where: short stacking energy: -71.468
Base-Backbone interact. energy: -0.051
local terms energy: -91.245923
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -15.289
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: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -289.807970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.807970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.807970 (E_RNA)
where:
Base-Base interactions energy: -200.399
where: short stacking energy: -79.047
Base-Backbone interact. energy: -0.100
local terms energy: -89.308978
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -27.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -265.481611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.481611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.481611 (E_RNA)
where:
Base-Base interactions energy: -177.406
where: short stacking energy: -78.338
Base-Backbone interact. energy: -0.071
local terms energy: -88.004865
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -21.426
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -19.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -220.636500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.636500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.636500 (E_RNA)
where:
Base-Base interactions energy: -136.004
where: short stacking energy: -61.401
Base-Backbone interact. energy: 0.145
local terms energy: -84.777600
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -10.684
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: 7, replica: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -217.077875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.077875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.077875 (E_RNA)
where:
Base-Base interactions energy: -140.419
where: short stacking energy: -59.153
Base-Backbone interact. energy: -0.282
local terms energy: -76.376894
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -14.150
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: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -186.319177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.319177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.319177 (E_RNA)
where:
Base-Base interactions energy: -113.478
where: short stacking energy: -53.454
Base-Backbone interact. energy: -0.143
local terms energy: -72.698032
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -17.575
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -113.652590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.652590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.652590 (E_RNA)
where:
Base-Base interactions energy: -55.579
where: short stacking energy: -38.005
Base-Backbone interact. energy: -0.248
local terms energy: -57.825198
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -8.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -104.755530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.755530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.755530 (E_RNA)
where:
Base-Base interactions energy: -52.682
where: short stacking energy: -25.480
Base-Backbone interact. energy: -0.670
local terms energy: -51.403592
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -1.893
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: 10
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -292.596429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.596429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.596429 (E_RNA)
where:
Base-Base interactions energy: -197.825
where: short stacking energy: -73.788
Base-Backbone interact. energy: -0.077
local terms energy: -94.694155
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -21.862
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -24.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -292.325452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.325452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.325452 (E_RNA)
where:
Base-Base interactions energy: -198.889
where: short stacking energy: -82.826
Base-Backbone interact. energy: -0.106
local terms energy: -93.330703
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -28.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -288.496462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.496462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.496462 (E_RNA)
where:
Base-Base interactions energy: -192.793
where: short stacking energy: -86.185
Base-Backbone interact. energy: -0.002
local terms energy: -95.702111
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -27.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -267.380660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.380660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.380660 (E_RNA)
where:
Base-Base interactions energy: -183.592
where: short stacking energy: -73.912
Base-Backbone interact. energy: -0.070
local terms energy: -83.718983
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -23.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -245.521324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.521324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.521324 (E_RNA)
where:
Base-Base interactions energy: -162.769
where: short stacking energy: -64.203
Base-Backbone interact. energy: -0.172
local terms energy: -82.579536
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -14.254
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: 346
Temperature: 1.150000
Total energy: -210.378825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.378825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.378825 (E_RNA)
where:
Base-Base interactions energy: -134.427
where: short stacking energy: -56.026
Base-Backbone interact. energy: -0.705
local terms energy: -75.246826
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -18.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -220.018602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.018602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.018602 (E_RNA)
where:
Base-Base interactions energy: -147.792
where: short stacking energy: -66.411
Base-Backbone interact. energy: -0.235
local terms energy: -71.991737
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -18.660
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -14.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -198.118937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.118937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.118937 (E_RNA)
where:
Base-Base interactions energy: -121.849
where: short stacking energy: -50.979
Base-Backbone interact. energy: -0.170
local terms energy: -76.100394
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -109.201041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.201041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.201041 (E_RNA)
where:
Base-Base interactions energy: -53.114
where: short stacking energy: -39.854
Base-Backbone interact. energy: -0.160
local terms energy: -55.927439
where:
bonds (distance) C4'-P energy: -8.822
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: -8.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -84.564135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.564135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.564135 (E_RNA)
where:
Base-Base interactions energy: -27.366
where: short stacking energy: -20.962
Base-Backbone interact. energy: -0.325
local terms energy: -56.872445
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: 1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -292.114493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.114493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.114493 (E_RNA)
where:
Base-Base interactions energy: -197.429
where: short stacking energy: -86.245
Base-Backbone interact. energy: -0.064
local terms energy: -94.621255
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -27.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -290.835866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.835866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.835866 (E_RNA)
where:
Base-Base interactions energy: -186.600
where: short stacking energy: -90.476
Base-Backbone interact. energy: -0.044
local terms energy: -104.191645
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -29.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -276.900007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.900007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.900007 (E_RNA)
where:
Base-Base interactions energy: -188.926
where: short stacking energy: -84.347
Base-Backbone interact. energy: -0.145
local terms energy: -87.828678
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -24.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -240.829885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.829885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.829885 (E_RNA)
where:
Base-Base interactions energy: -157.286
where: short stacking energy: -71.471
Base-Backbone interact. energy: -0.090
local terms energy: -83.453771
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -19.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -262.777302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.777302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.777302 (E_RNA)
where:
Base-Base interactions energy: -173.794
where: short stacking energy: -70.466
Base-Backbone interact. energy: 1.680
local terms energy: -90.663611
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -22.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -210.795176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.795176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.795176 (E_RNA)
where:
Base-Base interactions energy: -134.785
where: short stacking energy: -63.153
Base-Backbone interact. energy: -0.153
local terms energy: -75.857468
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -10.860
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: 7, replica: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -208.268194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.268194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.268194 (E_RNA)
where:
Base-Base interactions energy: -123.871
where: short stacking energy: -70.104
Base-Backbone interact. energy: -0.182
local terms energy: -84.214940
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -21.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -207.344120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.344120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.344120 (E_RNA)
where:
Base-Base interactions energy: -128.562
where: short stacking energy: -49.626
Base-Backbone interact. energy: -0.092
local terms energy: -78.690775
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -94.791941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.791941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.791941 (E_RNA)
where:
Base-Base interactions energy: -34.167
where: short stacking energy: -34.267
Base-Backbone interact. energy: 0.689
local terms energy: -61.313937
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -20.582
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -2.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -94.991645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.991645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.991645 (E_RNA)
where:
Base-Base interactions energy: -29.435
where: short stacking energy: -29.435
Base-Backbone interact. energy: 0.911
local terms energy: -66.468245
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -289.376249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.376249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.376249 (E_RNA)
where:
Base-Base interactions energy: -187.907
where: short stacking energy: -81.820
Base-Backbone interact. energy: -0.141
local terms energy: -101.327744
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -19.826
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -27.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -301.996175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.996175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.996175 (E_RNA)
where:
Base-Base interactions energy: -200.846
where: short stacking energy: -90.060
Base-Backbone interact. energy: -0.006
local terms energy: -101.143741
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -26.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -279.104888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.104888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.104888 (E_RNA)
where:
Base-Base interactions energy: -187.526
where: short stacking energy: -91.628
Base-Backbone interact. energy: 0.240
local terms energy: -91.818992
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -27.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -271.851020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.851020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.851020 (E_RNA)
where:
Base-Base interactions energy: -184.904
where: short stacking energy: -72.613
Base-Backbone interact. energy: -0.143
local terms energy: -86.803834
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -249.973242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.973242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.973242 (E_RNA)
where:
Base-Base interactions energy: -167.401
where: short stacking energy: -64.268
Base-Backbone interact. energy: -0.394
local terms energy: -82.178614
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -17.464
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: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -213.782296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.782296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.782296 (E_RNA)
where:
Base-Base interactions energy: -136.156
where: short stacking energy: -73.507
Base-Backbone interact. energy: -0.007
local terms energy: -77.618739
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -19.172
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: 348
Temperature: 1.200000
Total energy: -211.600339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.600339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.600339 (E_RNA)
where:
Base-Base interactions energy: -137.511
where: short stacking energy: -66.072
Base-Backbone interact. energy: 2.050
local terms energy: -76.138916
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -16.903
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: 9
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -200.327274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.327274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.327274 (E_RNA)
where:
Base-Base interactions energy: -131.577
where: short stacking energy: -53.630
Base-Backbone interact. energy: -0.099
local terms energy: -68.651367
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -13.300
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: 2
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -90.388588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.388588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.388588 (E_RNA)
where:
Base-Base interactions energy: -32.309
where: short stacking energy: -30.025
Base-Backbone interact. energy: -0.227
local terms energy: -57.852071
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -2.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -98.079925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.079925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.079925 (E_RNA)
where:
Base-Base interactions energy: -44.414
where: short stacking energy: -37.820
Base-Backbone interact. energy: -0.988
local terms energy: -52.677873
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -293.874818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.874818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.874818 (E_RNA)
where:
Base-Base interactions energy: -201.332
where: short stacking energy: -87.599
Base-Backbone interact. energy: -0.063
local terms energy: -92.479813
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -27.347
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: 2, replica: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -295.262558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.262558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.262558 (E_RNA)
where:
Base-Base interactions energy: -206.097
where: short stacking energy: -89.226
Base-Backbone interact. energy: -0.080
local terms energy: -89.084872
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -23.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -287.787246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.787246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.787246 (E_RNA)
where:
Base-Base interactions energy: -194.678
where: short stacking energy: -87.857
Base-Backbone interact. energy: 0.862
local terms energy: -93.971307
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -24.966
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: 3
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -272.080856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.080856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.080856 (E_RNA)
where:
Base-Base interactions energy: -194.668
where: short stacking energy: -74.753
Base-Backbone interact. energy: -0.036
local terms energy: -77.377208
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -19.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -255.128353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.128353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.128353 (E_RNA)
where:
Base-Base interactions energy: -174.068
where: short stacking energy: -75.534
Base-Backbone interact. energy: -0.098
local terms energy: -80.962840
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -18.339
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: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -207.869262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.869262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.869262 (E_RNA)
where:
Base-Base interactions energy: -131.130
where: short stacking energy: -59.545
Base-Backbone interact. energy: -0.282
local terms energy: -76.457344
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -13.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -214.490727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.490727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.490727 (E_RNA)
where:
Base-Base interactions energy: -126.832
where: short stacking energy: -49.066
Base-Backbone interact. energy: -0.114
local terms energy: -87.544423
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -211.725648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.725648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.725648 (E_RNA)
where:
Base-Base interactions energy: -144.144
where: short stacking energy: -65.896
Base-Backbone interact. energy: -0.264
local terms energy: -67.317069
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -87.115972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.115972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.115972 (E_RNA)
where:
Base-Base interactions energy: -30.585
where: short stacking energy: -21.723
Base-Backbone interact. energy: 0.009
local terms energy: -56.540282
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -22.346
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: 5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -88.039708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.039708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.039708 (E_RNA)
where:
Base-Base interactions energy: -28.246
where: short stacking energy: -26.348
Base-Backbone interact. energy: -0.888
local terms energy: -58.905649
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -1.118
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: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -298.959190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.959190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.959190 (E_RNA)
where:
Base-Base interactions energy: -201.576
where: short stacking energy: -84.716
Base-Backbone interact. energy: -0.653
local terms energy: -96.730303
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -13.326
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: 2, replica: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -283.344510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.344510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.344510 (E_RNA)
where:
Base-Base interactions energy: -197.543
where: short stacking energy: -80.439
Base-Backbone interact. energy: -0.055
local terms energy: -85.746297
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -23.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -287.889424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.889424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.889424 (E_RNA)
where:
Base-Base interactions energy: -193.010
where: short stacking energy: -79.041
Base-Backbone interact. energy: -0.078
local terms energy: -94.801634
where:
bonds (distance) C4'-P energy: -19.918
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -26.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -274.297065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.297065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.297065 (E_RNA)
where:
Base-Base interactions energy: -188.659
where: short stacking energy: -80.090
Base-Backbone interact. energy: -0.109
local terms energy: -85.529797
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -21.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -246.196886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.196886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.196886 (E_RNA)
where:
Base-Base interactions energy: -158.418
where: short stacking energy: -66.865
Base-Backbone interact. energy: -0.241
local terms energy: -87.538333
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -216.921885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.921885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.921885 (E_RNA)
where:
Base-Base interactions energy: -138.365
where: short stacking energy: -66.479
Base-Backbone interact. energy: -0.159
local terms energy: -78.397300
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -17.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -209.699072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.699072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.699072 (E_RNA)
where:
Base-Base interactions energy: -124.159
where: short stacking energy: -52.853
Base-Backbone interact. energy: 0.268
local terms energy: -85.807971
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -201.459408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.459408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.459408 (E_RNA)
where:
Base-Base interactions energy: -132.444
where: short stacking energy: -59.495
Base-Backbone interact. energy: -1.580
local terms energy: -67.434728
where:
bonds (distance) C4'-P energy: -7.277
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -13.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -98.379631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.379631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.379631 (E_RNA)
where:
Base-Base interactions energy: -36.260
where: short stacking energy: -29.763
Base-Backbone interact. energy: -1.123
local terms energy: -60.996907
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -110.237291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.237291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.237291 (E_RNA)
where:
Base-Base interactions energy: -58.103
where: short stacking energy: -28.078
Base-Backbone interact. energy: 2.038
local terms energy: -54.172231
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -2.064
tors. eta vs tors. theta energy: -8.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -294.028275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.028275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.028275 (E_RNA)
where:
Base-Base interactions energy: -204.395
where: short stacking energy: -81.803
Base-Backbone interact. energy: -0.038
local terms energy: -89.595075
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -14.868
tors. eta vs tors. theta energy: -24.674
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: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -300.707043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.707043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.707043 (E_RNA)
where:
Base-Base interactions energy: -207.479
where: short stacking energy: -88.024
Base-Backbone interact. energy: -0.033
local terms energy: -93.195003
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -25.990
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: 10
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -282.172686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.172686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.172686 (E_RNA)
where:
Base-Base interactions energy: -186.095
where: short stacking energy: -81.385
Base-Backbone interact. energy: -0.131
local terms energy: -95.946972
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -24.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -280.055954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.055954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.055954 (E_RNA)
where:
Base-Base interactions energy: -184.539
where: short stacking energy: -83.976
Base-Backbone interact. energy: -0.005
local terms energy: -95.511620
where:
bonds (distance) C4'-P energy: -20.679
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -28.272
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: 351
Temperature: 1.100000
Total energy: -232.750695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.750695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.750695 (E_RNA)
where:
Base-Base interactions energy: -154.137
where: short stacking energy: -62.121
Base-Backbone interact. energy: 0.630
local terms energy: -79.243672
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -14.595
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: 6, replica: 8
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -228.882489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.882489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.882489 (E_RNA)
where:
Base-Base interactions energy: -155.642
where: short stacking energy: -74.179
Base-Backbone interact. energy: -0.185
local terms energy: -73.054806
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -20.481
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: 351
Temperature: 1.200000
Total energy: -170.388725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.388725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.388725 (E_RNA)
where:
Base-Base interactions energy: -95.822
where: short stacking energy: -49.211
Base-Backbone interact. energy: -1.244
local terms energy: -73.322840
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -11.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -200.062070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.062070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.062070 (E_RNA)
where:
Base-Base interactions energy: -133.759
where: short stacking energy: -54.508
Base-Backbone interact. energy: -0.708
local terms energy: -65.595377
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -9.370
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -15.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -106.623843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.623843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.623843 (E_RNA)
where:
Base-Base interactions energy: -47.590
where: short stacking energy: -33.976
Base-Backbone interact. energy: 0.088
local terms energy: -59.121540
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -3.490
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: 2
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -93.064577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.064577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.064577 (E_RNA)
where:
Base-Base interactions energy: -27.550
where: short stacking energy: -23.161
Base-Backbone interact. energy: -0.049
local terms energy: -65.465182
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: 0.385
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: 352
Temperature: 0.900000
Total energy: -295.941519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.941519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.941519 (E_RNA)
where:
Base-Base interactions energy: -206.374
where: short stacking energy: -76.786
Base-Backbone interact. energy: -0.066
local terms energy: -89.501761
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -16.423
tors. eta vs tors. theta energy: -22.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -282.699737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.699737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.699737 (E_RNA)
where:
Base-Base interactions energy: -191.873
where: short stacking energy: -84.221
Base-Backbone interact. energy: -0.490
local terms energy: -90.336862
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -25.064
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: 10
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -290.874334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.874334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.874334 (E_RNA)
where:
Base-Base interactions energy: -191.627
where: short stacking energy: -83.279
Base-Backbone interact. energy: -0.100
local terms energy: -99.147578
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -27.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -283.141978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.141978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.141978 (E_RNA)
where:
Base-Base interactions energy: -196.902
where: short stacking energy: -83.651
Base-Backbone interact. energy: -0.041
local terms energy: -86.199035
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -9.205
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: 5, replica: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -229.399926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.399926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.399926 (E_RNA)
where:
Base-Base interactions energy: -149.837
where: short stacking energy: -74.699
Base-Backbone interact. energy: -0.613
local terms energy: -78.949817
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -9.812
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -25.696
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: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -250.856316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.856316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.856316 (E_RNA)
where:
Base-Base interactions energy: -161.877
where: short stacking energy: -67.585
Base-Backbone interact. energy: 0.044
local terms energy: -89.023950
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -20.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -186.501113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.501113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.501113 (E_RNA)
where:
Base-Base interactions energy: -118.868
where: short stacking energy: -48.458
Base-Backbone interact. energy: -0.272
local terms energy: -67.361202
where:
bonds (distance) C4'-P energy: -8.824
bonds (distance) P-C4' energy: -19.564
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -12.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -169.655477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.655477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.655477 (E_RNA)
where:
Base-Base interactions energy: -103.292
where: short stacking energy: -34.328
Base-Backbone interact. energy: -0.188
local terms energy: -66.175694
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -2.315
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: 2
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -90.538963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.538963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.538963 (E_RNA)
where:
Base-Base interactions energy: -26.652
where: short stacking energy: -25.579
Base-Backbone interact. energy: -0.063
local terms energy: -63.823855
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -86.726021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.726021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.726021 (E_RNA)
where:
Base-Base interactions energy: -27.017
where: short stacking energy: -17.090
Base-Backbone interact. energy: -0.505
local terms energy: -59.204147
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -292.698592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.698592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.698592 (E_RNA)
where:
Base-Base interactions energy: -199.228
where: short stacking energy: -82.740
Base-Backbone interact. energy: -0.073
local terms energy: -93.397174
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -24.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -293.447443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.447443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.447443 (E_RNA)
where:
Base-Base interactions energy: -198.480
where: short stacking energy: -84.468
Base-Backbone interact. energy: -0.225
local terms energy: -94.742262
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -25.062
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: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -283.995056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.995056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.995056 (E_RNA)
where:
Base-Base interactions energy: -191.737
where: short stacking energy: -81.481
Base-Backbone interact. energy: -0.149
local terms energy: -92.109396
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -25.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -271.083084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.083084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.083084 (E_RNA)
where:
Base-Base interactions energy: -184.210
where: short stacking energy: -73.518
Base-Backbone interact. energy: -0.043
local terms energy: -86.830034
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -19.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -219.324013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.324013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.324013 (E_RNA)
where:
Base-Base interactions energy: -146.965
where: short stacking energy: -68.267
Base-Backbone interact. energy: -0.368
local terms energy: -71.991794
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -6.241
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: 6, replica: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -251.989101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.989101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.989101 (E_RNA)
where:
Base-Base interactions energy: -161.183
where: short stacking energy: -67.863
Base-Backbone interact. energy: -0.066
local terms energy: -90.740588
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -24.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -164.833167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.833167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.833167 (E_RNA)
where:
Base-Base interactions energy: -102.649
where: short stacking energy: -51.126
Base-Backbone interact. energy: -0.071
local terms energy: -62.113710
where:
bonds (distance) C4'-P energy: -7.841
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -11.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -194.565337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.565337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.565337 (E_RNA)
where:
Base-Base interactions energy: -129.945
where: short stacking energy: -52.480
Base-Backbone interact. energy: -0.287
local terms energy: -64.333451
where:
bonds (distance) C4'-P energy: -19.649
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -9.262
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: 9, replica: 2
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -98.047333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.047333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.047333 (E_RNA)
where:
Base-Base interactions energy: -33.849
where: short stacking energy: -29.061
Base-Backbone interact. energy: 0.529
local terms energy: -64.728087
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -22.473
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -2.761
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: 10, replica: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -90.257413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.257413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.257413 (E_RNA)
where:
Base-Base interactions energy: -44.640
where: short stacking energy: -23.111
Base-Backbone interact. energy: 3.471
local terms energy: -49.088800
where:
bonds (distance) C4'-P energy: -18.883
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: 5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -292.848860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.848860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.848860 (E_RNA)
where:
Base-Base interactions energy: -193.698
where: short stacking energy: -84.407
Base-Backbone interact. energy: -0.549
local terms energy: -98.601775
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -23.159
flat angles P-C4'-P energy: -15.635
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: 2, replica: 3
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -296.413242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.413242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.413242 (E_RNA)
where:
Base-Base interactions energy: -197.730
where: short stacking energy: -92.397
Base-Backbone interact. energy: -0.005
local terms energy: -98.677383
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -27.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -284.510962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.510962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.510962 (E_RNA)
where:
Base-Base interactions energy: -179.425
where: short stacking energy: -81.112
Base-Backbone interact. energy: 0.436
local terms energy: -105.521717
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -29.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -277.581569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.581569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.581569 (E_RNA)
where:
Base-Base interactions energy: -190.304
where: short stacking energy: -94.590
Base-Backbone interact. energy: -0.336
local terms energy: -86.941159
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -28.896
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: 354
Temperature: 1.100000
Total energy: -247.173225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.173225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.173225 (E_RNA)
where:
Base-Base interactions energy: -167.159
where: short stacking energy: -68.604
Base-Backbone interact. energy: -0.121
local terms energy: -79.893028
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -20.771
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -228.912344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.912344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.912344 (E_RNA)
where:
Base-Base interactions energy: -151.340
where: short stacking energy: -74.159
Base-Backbone interact. energy: -0.002
local terms energy: -77.570165
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -23.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -204.919661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.919661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.919661 (E_RNA)
where:
Base-Base interactions energy: -136.044
where: short stacking energy: -56.638
Base-Backbone interact. energy: -0.034
local terms energy: -68.841610
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -14.562
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: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -194.166485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.166485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.166485 (E_RNA)
where:
Base-Base interactions energy: -115.720
where: short stacking energy: -45.412
Base-Backbone interact. energy: -0.128
local terms energy: -78.317972
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -9.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -88.040606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.040606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.040606 (E_RNA)
where:
Base-Base interactions energy: -37.660
where: short stacking energy: -22.318
Base-Backbone interact. energy: 1.115
local terms energy: -51.495541
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -94.831357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.831357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.831357 (E_RNA)
where:
Base-Base interactions energy: -33.867
where: short stacking energy: -33.790
Base-Backbone interact. energy: 0.424
local terms energy: -61.388161
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -7.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -296.640793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.640793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.640793 (E_RNA)
where:
Base-Base interactions energy: -197.613
where: short stacking energy: -83.862
Base-Backbone interact. energy: -0.134
local terms energy: -98.893707
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -26.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -282.418362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.418362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.418362 (E_RNA)
where:
Base-Base interactions energy: -192.999
where: short stacking energy: -86.148
Base-Backbone interact. energy: -0.006
local terms energy: -89.413111
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -25.549
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: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -279.847934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.847934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.847934 (E_RNA)
where:
Base-Base interactions energy: -188.814
where: short stacking energy: -91.019
Base-Backbone interact. energy: -0.004
local terms energy: -91.029812
where:
bonds (distance) C4'-P energy: -20.096
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -15.693
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: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -253.213582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.213582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.213582 (E_RNA)
where:
Base-Base interactions energy: -166.002
where: short stacking energy: -71.981
Base-Backbone interact. energy: -0.897
local terms energy: -86.314057
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -13.407
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: 5, replica: 1
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -267.345127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.345127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.345127 (E_RNA)
where:
Base-Base interactions energy: -179.875
where: short stacking energy: -87.504
Base-Backbone interact. energy: -2.169
local terms energy: -85.301189
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -11.319
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -26.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -226.459928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.459928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.459928 (E_RNA)
where:
Base-Base interactions energy: -139.279
where: short stacking energy: -69.141
Base-Backbone interact. energy: -0.002
local terms energy: -87.179513
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -21.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -208.959806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.959806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.959806 (E_RNA)
where:
Base-Base interactions energy: -133.870
where: short stacking energy: -60.005
Base-Backbone interact. energy: -0.035
local terms energy: -75.054093
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -15.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -178.467594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.467594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.467594 (E_RNA)
where:
Base-Base interactions energy: -105.797
where: short stacking energy: -47.120
Base-Backbone interact. energy: -0.047
local terms energy: -72.622917
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -10.240
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: 9, replica: 4
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -88.085378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.085378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.085378 (E_RNA)
where:
Base-Base interactions energy: -33.658
where: short stacking energy: -33.658
Base-Backbone interact. energy: -0.127
local terms energy: -54.300348
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -81.196609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.196609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.196609 (E_RNA)
where:
Base-Base interactions energy: -29.985
where: short stacking energy: -26.374
Base-Backbone interact. energy: -0.101
local terms energy: -51.111180
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -8.303
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -0.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -290.871288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.871288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.871288 (E_RNA)
where:
Base-Base interactions energy: -198.386
where: short stacking energy: -83.828
Base-Backbone interact. energy: -0.018
local terms energy: -92.466452
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -12.397
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: 2, replica: 10
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -291.129604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.129604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.129604 (E_RNA)
where:
Base-Base interactions energy: -203.512
where: short stacking energy: -85.481
Base-Backbone interact. energy: -0.065
local terms energy: -87.552302
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -24.542
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: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -274.652833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.652833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.652833 (E_RNA)
where:
Base-Base interactions energy: -181.983
where: short stacking energy: -75.999
Base-Backbone interact. energy: -0.089
local terms energy: -92.581180
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -23.952
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -280.511039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.511039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.511039 (E_RNA)
where:
Base-Base interactions energy: -186.943
where: short stacking energy: -87.954
Base-Backbone interact. energy: -0.003
local terms energy: -93.565466
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -27.615
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: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -262.817118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.817118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.817118 (E_RNA)
where:
Base-Base interactions energy: -167.039
where: short stacking energy: -73.889
Base-Backbone interact. energy: -0.602
local terms energy: -95.177093
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -15.520
tors. eta vs tors. theta energy: -25.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -229.611801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.611801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.611801 (E_RNA)
where:
Base-Base interactions energy: -159.320
where: short stacking energy: -66.797
Base-Backbone interact. energy: -0.328
local terms energy: -69.963272
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -11.431
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -21.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -212.350183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.350183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.350183 (E_RNA)
where:
Base-Base interactions energy: -132.533
where: short stacking energy: -57.976
Base-Backbone interact. energy: -0.102
local terms energy: -79.715635
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -18.813
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: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -178.073677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.073677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.073677 (E_RNA)
where:
Base-Base interactions energy: -107.093
where: short stacking energy: -45.774
Base-Backbone interact. energy: -0.021
local terms energy: -70.960123
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -9.466
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: 9, replica: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -142.657776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.657776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.657776 (E_RNA)
where:
Base-Base interactions energy: -88.546
where: short stacking energy: -40.486
Base-Backbone interact. energy: -1.034
local terms energy: -53.077475
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -10.152
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: 10, replica: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -84.790059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.790059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.790059 (E_RNA)
where:
Base-Base interactions energy: -37.500
where: short stacking energy: -25.462
Base-Backbone interact. energy: -0.262
local terms energy: -47.028598
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -19.792
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: 6.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -299.708159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.708159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.708159 (E_RNA)
where:
Base-Base interactions energy: -201.772
where: short stacking energy: -84.451
Base-Backbone interact. energy: -0.299
local terms energy: -97.637602
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -26.629
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: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -277.952775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.952775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.952775 (E_RNA)
where:
Base-Base interactions energy: -179.122
where: short stacking energy: -83.649
Base-Backbone interact. energy: -0.006
local terms energy: -98.825438
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -15.020
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: 3, replica: 10
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -278.940880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.940880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.940880 (E_RNA)
where:
Base-Base interactions energy: -190.965
where: short stacking energy: -86.053
Base-Backbone interact. energy: 0.174
local terms energy: -88.150472
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -24.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -284.265179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.265179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.265179 (E_RNA)
where:
Base-Base interactions energy: -187.287
where: short stacking energy: -88.084
Base-Backbone interact. energy: -0.917
local terms energy: -96.060897
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -28.013
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: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -278.452283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.452283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.452283 (E_RNA)
where:
Base-Base interactions energy: -185.200
where: short stacking energy: -80.756
Base-Backbone interact. energy: -0.358
local terms energy: -92.893583
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -26.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -232.698800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.698800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.698800 (E_RNA)
where:
Base-Base interactions energy: -147.597
where: short stacking energy: -68.993
Base-Backbone interact. energy: -0.178
local terms energy: -84.923838
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -19.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -206.856785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.856785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.856785 (E_RNA)
where:
Base-Base interactions energy: -132.488
where: short stacking energy: -58.940
Base-Backbone interact. energy: -0.022
local terms energy: -74.346896
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -14.634
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: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -154.920632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.920632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.920632 (E_RNA)
where:
Base-Base interactions energy: -84.624
where: short stacking energy: -47.456
Base-Backbone interact. energy: -0.073
local terms energy: -70.223648
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -13.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -159.266327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.266327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.266327 (E_RNA)
where:
Base-Base interactions energy: -95.129
where: short stacking energy: -50.942
Base-Backbone interact. energy: -0.272
local terms energy: -63.865765
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -4.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -81.837592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.837592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.837592 (E_RNA)
where:
Base-Base interactions energy: -33.019
where: short stacking energy: -23.358
Base-Backbone interact. energy: -0.334
local terms energy: -48.484654
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -2.841
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: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -293.347622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.347622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.347622 (E_RNA)
where:
Base-Base interactions energy: -200.244
where: short stacking energy: -84.079
Base-Backbone interact. energy: -0.051
local terms energy: -93.053145
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -11.129
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: 2, replica: 7
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -288.409973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.409973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.409973 (E_RNA)
where:
Base-Base interactions energy: -190.440
where: short stacking energy: -87.388
Base-Backbone interact. energy: -0.175
local terms energy: -97.795555
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -26.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -287.795407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.795407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.795407 (E_RNA)
where:
Base-Base interactions energy: -200.334
where: short stacking energy: -77.664
Base-Backbone interact. energy: -0.060
local terms energy: -87.400866
where:
bonds (distance) C4'-P energy: -19.908
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -23.515
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: 3
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -275.675496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.675496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.675496 (E_RNA)
where:
Base-Base interactions energy: -190.552
where: short stacking energy: -77.838
Base-Backbone interact. energy: -0.015
local terms energy: -85.109277
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -21.017
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: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -275.548398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.548398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.548398 (E_RNA)
where:
Base-Base interactions energy: -183.695
where: short stacking energy: -77.721
Base-Backbone interact. energy: -0.772
local terms energy: -91.081463
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -24.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -225.529695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.529695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.529695 (E_RNA)
where:
Base-Base interactions energy: -149.587
where: short stacking energy: -64.250
Base-Backbone interact. energy: 0.690
local terms energy: -76.632893
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -15.059
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: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -203.779515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.779515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.779515 (E_RNA)
where:
Base-Base interactions energy: -126.830
where: short stacking energy: -51.541
Base-Backbone interact. energy: -0.256
local terms energy: -76.693365
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -13.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -110.937781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.937781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.937781 (E_RNA)
where:
Base-Base interactions energy: -54.680
where: short stacking energy: -21.953
Base-Backbone interact. energy: -0.272
local terms energy: -55.986225
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: 0.448
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: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -93.289554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.289554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.289554 (E_RNA)
where:
Base-Base interactions energy: -33.846
where: short stacking energy: -29.439
Base-Backbone interact. energy: 0.205
local terms energy: -59.648395
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -90.821825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.821825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.821825 (E_RNA)
where:
Base-Base interactions energy: -36.694
where: short stacking energy: -32.960
Base-Backbone interact. energy: 1.166
local terms energy: -55.293269
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: 3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -286.882795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.882795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.882795 (E_RNA)
where:
Base-Base interactions energy: -200.431
where: short stacking energy: -83.280
Base-Backbone interact. energy: -0.046
local terms energy: -86.405349
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -23.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -290.231968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.231968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.231968 (E_RNA)
where:
Base-Base interactions energy: -186.620
where: short stacking energy: -81.350
Base-Backbone interact. energy: -1.154
local terms energy: -102.458233
where:
bonds (distance) C4'-P energy: -20.663
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: -26.694
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: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -271.260415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.260415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.260415 (E_RNA)
where:
Base-Base interactions energy: -183.606
where: short stacking energy: -77.859
Base-Backbone interact. energy: -0.778
local terms energy: -86.876183
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -21.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -282.802056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.802056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.802056 (E_RNA)
where:
Base-Base interactions energy: -193.464
where: short stacking energy: -87.310
Base-Backbone interact. energy: -0.058
local terms energy: -89.280096
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -25.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -268.758467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.758467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.758467 (E_RNA)
where:
Base-Base interactions energy: -183.037
where: short stacking energy: -74.190
Base-Backbone interact. energy: -0.021
local terms energy: -85.700516
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -21.917
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -199.969742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.969742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.969742 (E_RNA)
where:
Base-Base interactions energy: -128.316
where: short stacking energy: -60.636
Base-Backbone interact. energy: -0.053
local terms energy: -71.600343
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -11.090
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -208.074932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.074932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.074932 (E_RNA)
where:
Base-Base interactions energy: -134.718
where: short stacking energy: -66.078
Base-Backbone interact. energy: -0.058
local terms energy: -73.298553
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -96.696825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.696825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.696825 (E_RNA)
where:
Base-Base interactions energy: -27.290
where: short stacking energy: -26.174
Base-Backbone interact. energy: -0.127
local terms energy: -69.280279
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -92.221765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.221765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.221765 (E_RNA)
where:
Base-Base interactions energy: -35.080
where: short stacking energy: -18.365
Base-Backbone interact. energy: -0.857
local terms energy: -56.285136
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: 5.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -95.311833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.311833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.311833 (E_RNA)
where:
Base-Base interactions energy: -33.836
where: short stacking energy: -31.521
Base-Backbone interact. energy: 0.157
local terms energy: -61.632816
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -3.066
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: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -289.641193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.641193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.641193 (E_RNA)
where:
Base-Base interactions energy: -193.028
where: short stacking energy: -88.236
Base-Backbone interact. energy: -0.040
local terms energy: -96.573188
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -24.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -293.557299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.557299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.557299 (E_RNA)
where:
Base-Base interactions energy: -199.612
where: short stacking energy: -85.177
Base-Backbone interact. energy: -0.120
local terms energy: -93.825396
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -15.792
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: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -247.917603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.917603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.917603 (E_RNA)
where:
Base-Base interactions energy: -169.700
where: short stacking energy: -69.279
Base-Backbone interact. energy: -0.164
local terms energy: -78.053782
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -10.732
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: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -274.784838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.784838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.784838 (E_RNA)
where:
Base-Base interactions energy: -194.230
where: short stacking energy: -90.952
Base-Backbone interact. energy: -0.170
local terms energy: -80.384676
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -23.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -274.289916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.289916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.289916 (E_RNA)
where:
Base-Base interactions energy: -172.552
where: short stacking energy: -80.291
Base-Backbone interact. energy: 0.063
local terms energy: -101.801372
where:
bonds (distance) C4'-P energy: -17.784
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -26.819
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: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -209.300732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.300732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.300732 (E_RNA)
where:
Base-Base interactions energy: -135.960
where: short stacking energy: -68.552
Base-Backbone interact. energy: -0.069
local terms energy: -73.271187
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -5.671
tors. eta vs tors. theta energy: -18.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -221.518529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.518529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.518529 (E_RNA)
where:
Base-Base interactions energy: -147.010
where: short stacking energy: -66.321
Base-Backbone interact. energy: -0.144
local terms energy: -74.364563
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -17.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -101.770128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.770128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.770128 (E_RNA)
where:
Base-Base interactions energy: -47.122
where: short stacking energy: -46.646
Base-Backbone interact. energy: 0.842
local terms energy: -55.490771
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -11.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -86.369185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.369185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.369185 (E_RNA)
where:
Base-Base interactions energy: -40.446
where: short stacking energy: -31.978
Base-Backbone interact. energy: -0.032
local terms energy: -45.890555
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -4.668
tors. eta vs tors. theta energy: 1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -98.309668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.309668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.309668 (E_RNA)
where:
Base-Base interactions energy: -35.764
where: short stacking energy: -17.756
Base-Backbone interact. energy: -0.257
local terms energy: -62.287961
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: 4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -299.555872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.555872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.555872 (E_RNA)
where:
Base-Base interactions energy: -208.585
where: short stacking energy: -93.828
Base-Backbone interact. energy: -0.008
local terms energy: -90.962908
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -22.875
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: 2, replica: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -284.403730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.403730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.403730 (E_RNA)
where:
Base-Base interactions energy: -196.734
where: short stacking energy: -83.194
Base-Backbone interact. energy: -0.693
local terms energy: -86.977273
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -22.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -279.666797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.666797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.666797 (E_RNA)
where:
Base-Base interactions energy: -187.960
where: short stacking energy: -84.773
Base-Backbone interact. energy: -0.075
local terms energy: -91.631221
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -25.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -275.309403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.309403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.309403 (E_RNA)
where:
Base-Base interactions energy: -185.934
where: short stacking energy: -81.947
Base-Backbone interact. energy: -0.063
local terms energy: -89.312770
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -20.120
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -24.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -275.191152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.191152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.191152 (E_RNA)
where:
Base-Base interactions energy: -188.818
where: short stacking energy: -83.566
Base-Backbone interact. energy: -0.049
local terms energy: -86.323369
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -27.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -238.379153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.379153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.379153 (E_RNA)
where:
Base-Base interactions energy: -150.713
where: short stacking energy: -76.313
Base-Backbone interact. energy: -0.059
local terms energy: -87.606455
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -26.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -226.621871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.621871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.621871 (E_RNA)
where:
Base-Base interactions energy: -149.804
where: short stacking energy: -65.061
Base-Backbone interact. energy: 0.029
local terms energy: -76.847573
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -18.233
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: 2
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -107.386288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.386288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.386288 (E_RNA)
where:
Base-Base interactions energy: -48.409
where: short stacking energy: -32.399
Base-Backbone interact. energy: -0.551
local terms energy: -58.426550
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -8.170
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -11.817
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: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -104.370889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.370889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.370889 (E_RNA)
where:
Base-Base interactions energy: -45.710
where: short stacking energy: -45.710
Base-Backbone interact. energy: -0.299
local terms energy: -58.361501
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -2.902
tors. eta vs tors. theta energy: -9.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -85.521298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.521298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.521298 (E_RNA)
where:
Base-Base interactions energy: -22.394
where: short stacking energy: -22.394
Base-Backbone interact. energy: -0.057
local terms energy: -63.069537
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -9.993
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -4.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -296.293413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.293413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.293413 (E_RNA)
where:
Base-Base interactions energy: -200.689
where: short stacking energy: -83.621
Base-Backbone interact. energy: -0.086
local terms energy: -95.518728
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: -23.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -281.927669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.927669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.927669 (E_RNA)
where:
Base-Base interactions energy: -192.733
where: short stacking energy: -79.915
Base-Backbone interact. energy: -0.081
local terms energy: -89.114314
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -281.078779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.078779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.078779 (E_RNA)
where:
Base-Base interactions energy: -186.160
where: short stacking energy: -83.308
Base-Backbone interact. energy: -0.071
local terms energy: -94.847272
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -26.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -266.537006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.537006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.537006 (E_RNA)
where:
Base-Base interactions energy: -176.404
where: short stacking energy: -71.657
Base-Backbone interact. energy: -0.008
local terms energy: -90.125103
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -9.143
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: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -278.849829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.849829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.849829 (E_RNA)
where:
Base-Base interactions energy: -188.887
where: short stacking energy: -80.799
Base-Backbone interact. energy: -0.109
local terms energy: -89.853305
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -17.685
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: 6, replica: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -209.649560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.649560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.649560 (E_RNA)
where:
Base-Base interactions energy: -133.972
where: short stacking energy: -60.116
Base-Backbone interact. energy: -0.155
local terms energy: -75.521959
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -2.547
tors. eta vs tors. theta energy: -16.319
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: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -215.180014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.180014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.180014 (E_RNA)
where:
Base-Base interactions energy: -132.508
where: short stacking energy: -57.590
Base-Backbone interact. energy: -1.083
local terms energy: -81.588411
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -114.524598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.524598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.524598 (E_RNA)
where:
Base-Base interactions energy: -46.468
where: short stacking energy: -42.733
Base-Backbone interact. energy: -0.433
local terms energy: -67.623542
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -8.190
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: 362
Temperature: 1.300000
Total energy: -97.548950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.548950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.548950 (E_RNA)
where:
Base-Base interactions energy: -39.108
where: short stacking energy: -39.047
Base-Backbone interact. energy: -0.035
local terms energy: -58.405294
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -0.400
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: 10, replica: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -87.214393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.214393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.214393 (E_RNA)
where:
Base-Base interactions energy: -27.489
where: short stacking energy: -27.489
Base-Backbone interact. energy: -0.048
local terms energy: -59.676980
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -297.822986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.822986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.822986 (E_RNA)
where:
Base-Base interactions energy: -202.647
where: short stacking energy: -84.976
Base-Backbone interact. energy: -0.130
local terms energy: -95.046167
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -24.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -286.739005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.739005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.739005 (E_RNA)
where:
Base-Base interactions energy: -190.427
where: short stacking energy: -93.880
Base-Backbone interact. energy: -0.048
local terms energy: -96.263610
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -17.837
tors. eta vs tors. theta energy: -26.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -288.131020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.131020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.131020 (E_RNA)
where:
Base-Base interactions energy: -196.387
where: short stacking energy: -82.928
Base-Backbone interact. energy: -0.056
local terms energy: -91.688116
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -27.899
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: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -272.067742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.067742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.067742 (E_RNA)
where:
Base-Base interactions energy: -179.455
where: short stacking energy: -77.030
Base-Backbone interact. energy: -0.001
local terms energy: -92.611885
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -21.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -245.126681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.126681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.126681 (E_RNA)
where:
Base-Base interactions energy: -159.106
where: short stacking energy: -66.840
Base-Backbone interact. energy: -0.014
local terms energy: -86.006757
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -20.711
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -14.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -210.760309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.760309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.760309 (E_RNA)
where:
Base-Base interactions energy: -134.161
where: short stacking energy: -55.935
Base-Backbone interact. energy: -0.092
local terms energy: -76.507654
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -210.381509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.381509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.381509 (E_RNA)
where:
Base-Base interactions energy: -129.700
where: short stacking energy: -60.998
Base-Backbone interact. energy: -0.200
local terms energy: -80.481860
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: -11.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -105.771371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.771371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.771371 (E_RNA)
where:
Base-Base interactions energy: -47.678
where: short stacking energy: -23.641
Base-Backbone interact. energy: -0.059
local terms energy: -58.034194
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -12.569
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: 9, replica: 2
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -96.851026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.851026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.851026 (E_RNA)
where:
Base-Base interactions energy: -47.081
where: short stacking energy: -18.571
Base-Backbone interact. energy: -1.742
local terms energy: -48.028126
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: 5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -88.231488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.231488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.231488 (E_RNA)
where:
Base-Base interactions energy: -25.620
where: short stacking energy: -23.126
Base-Backbone interact. energy: -0.252
local terms energy: -62.359486
where:
bonds (distance) C4'-P energy: -20.621
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -8.949
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -0.968
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: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -292.870247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.870247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.870247 (E_RNA)
where:
Base-Base interactions energy: -193.135
where: short stacking energy: -83.192
Base-Backbone interact. energy: -0.084
local terms energy: -99.651430
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -26.090
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: 2, replica: 10
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -277.895507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.895507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.895507 (E_RNA)
where:
Base-Base interactions energy: -178.161
where: short stacking energy: -79.372
Base-Backbone interact. energy: -0.336
local terms energy: -99.398200
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -16.516
tors. eta vs tors. theta energy: -24.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -281.717890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.717890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.717890 (E_RNA)
where:
Base-Base interactions energy: -184.966
where: short stacking energy: -88.698
Base-Backbone interact. energy: -0.500
local terms energy: -96.251817
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -26.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -276.144557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.144557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.144557 (E_RNA)
where:
Base-Base interactions energy: -183.847
where: short stacking energy: -78.193
Base-Backbone interact. energy: -0.000
local terms energy: -92.297380
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -13.694
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: 5, replica: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -237.758139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.758139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.758139 (E_RNA)
where:
Base-Base interactions energy: -158.538
where: short stacking energy: -68.663
Base-Backbone interact. energy: -0.690
local terms energy: -78.530977
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -224.952037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.952037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.952037 (E_RNA)
where:
Base-Base interactions energy: -146.777
where: short stacking energy: -65.716
Base-Backbone interact. energy: -0.617
local terms energy: -77.557778
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -20.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -205.058869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.058869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.058869 (E_RNA)
where:
Base-Base interactions energy: -135.926
where: short stacking energy: -57.935
Base-Backbone interact. energy: -0.115
local terms energy: -69.017742
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -15.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -109.937683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.937683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.937683 (E_RNA)
where:
Base-Base interactions energy: -45.785
where: short stacking energy: -15.044
Base-Backbone interact. energy: -0.277
local terms energy: -63.876613
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -3.060
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: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -86.597482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.597482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.597482 (E_RNA)
where:
Base-Base interactions energy: -25.105
where: short stacking energy: -25.905
Base-Backbone interact. energy: -0.330
local terms energy: -61.162423
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -6.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -87.083692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.083692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.083692 (E_RNA)
where:
Base-Base interactions energy: -33.677
where: short stacking energy: -32.217
Base-Backbone interact. energy: -0.864
local terms energy: -52.542570
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -4.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -284.800998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.800998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.800998 (E_RNA)
where:
Base-Base interactions energy: -186.226
where: short stacking energy: -93.547
Base-Backbone interact. energy: -0.135
local terms energy: -98.439819
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: -25.458
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: 2, replica: 10
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -282.635597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.635597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.635597 (E_RNA)
where:
Base-Base interactions energy: -180.317
where: short stacking energy: -85.349
Base-Backbone interact. energy: -0.043
local terms energy: -102.275716
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -25.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -280.397994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.397994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.397994 (E_RNA)
where:
Base-Base interactions energy: -184.348
where: short stacking energy: -86.657
Base-Backbone interact. energy: -0.042
local terms energy: -96.008153
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: -28.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -256.643183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.643183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.643183 (E_RNA)
where:
Base-Base interactions energy: -167.980
where: short stacking energy: -75.362
Base-Backbone interact. energy: -0.292
local terms energy: -88.371271
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -15.497
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -232.699132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.699132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.699132 (E_RNA)
where:
Base-Base interactions energy: -153.985
where: short stacking energy: -67.329
Base-Backbone interact. energy: -0.306
local terms energy: -78.408263
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -14.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -224.710404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.710404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.710404 (E_RNA)
where:
Base-Base interactions energy: -141.246
where: short stacking energy: -72.647
Base-Backbone interact. energy: 1.902
local terms energy: -85.366441
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -23.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -222.808412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.808412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.808412 (E_RNA)
where:
Base-Base interactions energy: -142.176
where: short stacking energy: -62.993
Base-Backbone interact. energy: -0.124
local terms energy: -80.508584
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -19.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -100.594979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.594979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.594979 (E_RNA)
where:
Base-Base interactions energy: -40.084
where: short stacking energy: -23.351
Base-Backbone interact. energy: -0.113
local terms energy: -60.398756
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -13.684
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: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -95.636318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.636318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.636318 (E_RNA)
where:
Base-Base interactions energy: -38.428
where: short stacking energy: -37.685
Base-Backbone interact. energy: -0.359
local terms energy: -56.849677
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -93.452931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.452931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.452931 (E_RNA)
where:
Base-Base interactions energy: -32.691
where: short stacking energy: -23.705
Base-Backbone interact. energy: 0.043
local terms energy: -60.805589
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -6.615
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: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -289.016716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.016716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.016716 (E_RNA)
where:
Base-Base interactions energy: -189.711
where: short stacking energy: -83.804
Base-Backbone interact. energy: 0.350
local terms energy: -99.655552
where:
bonds (distance) C4'-P energy: -21.481
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -22.203
flat angles P-C4'-P energy: -13.104
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: 2, replica: 10
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -288.717553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.717553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.717553 (E_RNA)
where:
Base-Base interactions energy: -193.094
where: short stacking energy: -82.774
Base-Backbone interact. energy: -0.069
local terms energy: -95.554660
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -28.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -285.610923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.610923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.610923 (E_RNA)
where:
Base-Base interactions energy: -190.355
where: short stacking energy: -79.998
Base-Backbone interact. energy: -0.021
local terms energy: -95.234610
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -24.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -266.183701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.183701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.183701 (E_RNA)
where:
Base-Base interactions energy: -178.027
where: short stacking energy: -68.780
Base-Backbone interact. energy: -0.203
local terms energy: -87.953701
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -17.060
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: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -230.171675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.171675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.171675 (E_RNA)
where:
Base-Base interactions energy: -149.861
where: short stacking energy: -61.030
Base-Backbone interact. energy: 0.454
local terms energy: -80.764929
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -13.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -244.723082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.723082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.723082 (E_RNA)
where:
Base-Base interactions energy: -156.581
where: short stacking energy: -68.371
Base-Backbone interact. energy: -0.228
local terms energy: -87.914329
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -19.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -203.917658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.917658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.917658 (E_RNA)
where:
Base-Base interactions energy: -132.371
where: short stacking energy: -51.842
Base-Backbone interact. energy: -0.179
local terms energy: -71.367070
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -10.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -103.933705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.933705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.933705 (E_RNA)
where:
Base-Base interactions energy: -45.466
where: short stacking energy: -41.253
Base-Backbone interact. energy: 2.822
local terms energy: -61.289381
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -2.682
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: 2
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -87.419184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.419184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.419184 (E_RNA)
where:
Base-Base interactions energy: -30.784
where: short stacking energy: -28.284
Base-Backbone interact. energy: -0.046
local terms energy: -56.590023
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -85.162825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.162825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.162825 (E_RNA)
where:
Base-Base interactions energy: -26.428
where: short stacking energy: -25.975
Base-Backbone interact. energy: -0.178
local terms energy: -58.557676
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: 0.200
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: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -293.038053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.038053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.038053 (E_RNA)
where:
Base-Base interactions energy: -200.518
where: short stacking energy: -96.291
Base-Backbone interact. energy: -0.004
local terms energy: -92.516165
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -27.104
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: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -292.153736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.153736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.153736 (E_RNA)
where:
Base-Base interactions energy: -202.530
where: short stacking energy: -83.412
Base-Backbone interact. energy: -0.419
local terms energy: -89.204483
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -26.192
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: 10
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -273.966799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.966799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.966799 (E_RNA)
where:
Base-Base interactions energy: -182.040
where: short stacking energy: -82.345
Base-Backbone interact. energy: -0.111
local terms energy: -91.816064
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -25.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -238.144698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.144698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.144698 (E_RNA)
where:
Base-Base interactions energy: -157.322
where: short stacking energy: -76.826
Base-Backbone interact. energy: -0.204
local terms energy: -80.617905
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -277.498374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.498374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.498374 (E_RNA)
where:
Base-Base interactions energy: -193.481
where: short stacking energy: -81.739
Base-Backbone interact. energy: -0.489
local terms energy: -83.528588
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -19.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -222.838266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.838266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.838266 (E_RNA)
where:
Base-Base interactions energy: -143.227
where: short stacking energy: -66.480
Base-Backbone interact. energy: -0.260
local terms energy: -79.351278
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -19.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -225.669827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.669827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.669827 (E_RNA)
where:
Base-Base interactions energy: -158.405
where: short stacking energy: -61.202
Base-Backbone interact. energy: -0.669
local terms energy: -66.595562
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -12.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -103.292138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.292138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.292138 (E_RNA)
where:
Base-Base interactions energy: -41.314
where: short stacking energy: -30.203
Base-Backbone interact. energy: -0.156
local terms energy: -61.821410
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -1.812
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: 367
Temperature: 1.300000
Total energy: -95.685755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.685755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.685755 (E_RNA)
where:
Base-Base interactions energy: -41.185
where: short stacking energy: -24.922
Base-Backbone interact. energy: -0.309
local terms energy: -54.192539
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -2.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -98.668561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.668561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.668561 (E_RNA)
where:
Base-Base interactions energy: -41.656
where: short stacking energy: -29.566
Base-Backbone interact. energy: 0.462
local terms energy: -57.474707
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -288.046877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.046877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.046877 (E_RNA)
where:
Base-Base interactions energy: -197.289
where: short stacking energy: -85.037
Base-Backbone interact. energy: -0.191
local terms energy: -90.567346
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -22.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -288.809728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.809728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.809728 (E_RNA)
where:
Base-Base interactions energy: -188.878
where: short stacking energy: -89.987
Base-Backbone interact. energy: -0.280
local terms energy: -99.651237
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -27.635
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: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -244.205838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.205838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.205838 (E_RNA)
where:
Base-Base interactions energy: -159.226
where: short stacking energy: -67.285
Base-Backbone interact. energy: -0.104
local terms energy: -84.875080
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -22.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -280.809720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.809720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.809720 (E_RNA)
where:
Base-Base interactions energy: -185.246
where: short stacking energy: -85.320
Base-Backbone interact. energy: -0.092
local terms energy: -95.470945
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -27.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -264.024340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.024340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.024340 (E_RNA)
where:
Base-Base interactions energy: -179.933
where: short stacking energy: -77.005
Base-Backbone interact. energy: 0.070
local terms energy: -84.160481
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -24.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -212.668448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.668448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.668448 (E_RNA)
where:
Base-Base interactions energy: -136.267
where: short stacking energy: -62.920
Base-Backbone interact. energy: -0.286
local terms energy: -76.114876
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -11.162
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: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -237.960501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.960501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.960501 (E_RNA)
where:
Base-Base interactions energy: -156.104
where: short stacking energy: -62.884
Base-Backbone interact. energy: -0.055
local terms energy: -81.801502
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -15.162
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: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -99.605287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.605287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.605287 (E_RNA)
where:
Base-Base interactions energy: -28.052
where: short stacking energy: -25.748
Base-Backbone interact. energy: -0.542
local terms energy: -71.011184
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -5.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -103.311769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.311769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.311769 (E_RNA)
where:
Base-Base interactions energy: -32.615
where: short stacking energy: -32.686
Base-Backbone interact. energy: -0.142
local terms energy: -70.555351
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -21.371
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -83.698099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.698099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.698099 (E_RNA)
where:
Base-Base interactions energy: -30.390
where: short stacking energy: -22.866
Base-Backbone interact. energy: -0.166
local terms energy: -53.142282
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: 2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -294.989065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.989065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.989065 (E_RNA)
where:
Base-Base interactions energy: -201.305
where: short stacking energy: -83.360
Base-Backbone interact. energy: -0.132
local terms energy: -93.552358
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -27.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -285.841293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.841293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.841293 (E_RNA)
where:
Base-Base interactions energy: -192.721
where: short stacking energy: -84.066
Base-Backbone interact. energy: -0.041
local terms energy: -93.078733
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -25.841
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: 3, replica: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -254.095670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.095670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.095670 (E_RNA)
where:
Base-Base interactions energy: -157.461
where: short stacking energy: -70.557
Base-Backbone interact. energy: -0.155
local terms energy: -96.480037
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -22.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -276.035849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.035849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.035849 (E_RNA)
where:
Base-Base interactions energy: -187.742
where: short stacking energy: -79.056
Base-Backbone interact. energy: -0.021
local terms energy: -88.272487
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -23.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -255.998840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.998840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.998840 (E_RNA)
where:
Base-Base interactions energy: -172.434
where: short stacking energy: -74.557
Base-Backbone interact. energy: -0.183
local terms energy: -83.382398
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -19.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -228.987527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.987527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.987527 (E_RNA)
where:
Base-Base interactions energy: -151.054
where: short stacking energy: -58.916
Base-Backbone interact. energy: -0.227
local terms energy: -77.706701
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -13.658
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: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -208.566905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.566905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.566905 (E_RNA)
where:
Base-Base interactions energy: -130.139
where: short stacking energy: -68.020
Base-Backbone interact. energy: 1.136
local terms energy: -79.563448
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -97.387194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.387194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.387194 (E_RNA)
where:
Base-Base interactions energy: -32.366
where: short stacking energy: -28.698
Base-Backbone interact. energy: -0.272
local terms energy: -64.749469
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -90.668567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.668567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.668567 (E_RNA)
where:
Base-Base interactions energy: -29.722
where: short stacking energy: -28.086
Base-Backbone interact. energy: -0.277
local terms energy: -60.670352
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -95.235641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.235641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.235641 (E_RNA)
where:
Base-Base interactions energy: -38.823
where: short stacking energy: -34.030
Base-Backbone interact. energy: -0.462
local terms energy: -55.950041
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -8.479
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -3.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -292.910932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.910932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.910932 (E_RNA)
where:
Base-Base interactions energy: -194.021
where: short stacking energy: -85.531
Base-Backbone interact. energy: -0.040
local terms energy: -98.849975
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -21.703
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -26.384
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: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -285.799208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.799208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.799208 (E_RNA)
where:
Base-Base interactions energy: -194.337
where: short stacking energy: -86.994
Base-Backbone interact. energy: -0.002
local terms energy: -91.459911
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -22.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -285.136592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.136592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.136592 (E_RNA)
where:
Base-Base interactions energy: -186.507
where: short stacking energy: -86.547
Base-Backbone interact. energy: -0.018
local terms energy: -98.611569
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -28.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -265.817058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.817058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.817058 (E_RNA)
where:
Base-Base interactions energy: -182.375
where: short stacking energy: -69.488
Base-Backbone interact. energy: -0.046
local terms energy: -83.396210
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -19.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -251.333070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.333070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.333070 (E_RNA)
where:
Base-Base interactions energy: -166.238
where: short stacking energy: -83.058
Base-Backbone interact. energy: 1.091
local terms energy: -86.185420
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -22.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -225.532386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.532386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.532386 (E_RNA)
where:
Base-Base interactions energy: -143.411
where: short stacking energy: -66.467
Base-Backbone interact. energy: -0.610
local terms energy: -81.512297
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -13.707
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: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -218.415515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.415515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.415515 (E_RNA)
where:
Base-Base interactions energy: -142.528
where: short stacking energy: -69.342
Base-Backbone interact. energy: -0.049
local terms energy: -75.838603
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -14.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -104.221751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.221751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.221751 (E_RNA)
where:
Base-Base interactions energy: -36.854
where: short stacking energy: -37.259
Base-Backbone interact. energy: -0.005
local terms energy: -67.362982
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: -6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -84.796820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.796820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.796820 (E_RNA)
where:
Base-Base interactions energy: -39.028
where: short stacking energy: -33.112
Base-Backbone interact. energy: -0.068
local terms energy: -45.700625
where:
bonds (distance) C4'-P energy: -7.628
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: 1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -96.164217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.164217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.164217 (E_RNA)
where:
Base-Base interactions energy: -54.882
where: short stacking energy: -26.169
Base-Backbone interact. energy: 0.743
local terms energy: -42.024614
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: 2.692
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: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -290.693406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.693406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.693406 (E_RNA)
where:
Base-Base interactions energy: -185.211
where: short stacking energy: -87.719
Base-Backbone interact. energy: -0.005
local terms energy: -105.477788
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -22.732
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -28.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -283.745270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.745270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.745270 (E_RNA)
where:
Base-Base interactions energy: -188.180
where: short stacking energy: -77.873
Base-Backbone interact. energy: 0.840
local terms energy: -96.405667
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -23.446
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: 3, replica: 1
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -278.096805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.096805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.096805 (E_RNA)
where:
Base-Base interactions energy: -185.253
where: short stacking energy: -75.631
Base-Backbone interact. energy: -0.006
local terms energy: -92.838422
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -20.382
flat angles C4'-P-C4' energy: -20.083
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -269.236202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.236202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.236202 (E_RNA)
where:
Base-Base interactions energy: -185.287
where: short stacking energy: -68.350
Base-Backbone interact. energy: 1.271
local terms energy: -85.219639
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -23.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -268.617553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.617553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.617553 (E_RNA)
where:
Base-Base interactions energy: -185.746
where: short stacking energy: -88.040
Base-Backbone interact. energy: -0.025
local terms energy: -82.846594
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -20.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -242.265232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.265232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.265232 (E_RNA)
where:
Base-Base interactions energy: -159.956
where: short stacking energy: -72.750
Base-Backbone interact. energy: 0.219
local terms energy: -82.527893
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -20.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -214.605227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.605227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.605227 (E_RNA)
where:
Base-Base interactions energy: -129.569
where: short stacking energy: -60.260
Base-Backbone interact. energy: 0.632
local terms energy: -85.668349
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -20.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -93.950177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.950177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.950177 (E_RNA)
where:
Base-Base interactions energy: -34.548
where: short stacking energy: -33.178
Base-Backbone interact. energy: 0.511
local terms energy: -59.913745
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -100.573747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.573747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.573747 (E_RNA)
where:
Base-Base interactions energy: -45.208
where: short stacking energy: -45.208
Base-Backbone interact. energy: 1.508
local terms energy: -56.874096
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -7.506
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: 10, replica: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -125.676089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.676089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.676089 (E_RNA)
where:
Base-Base interactions energy: -70.710
where: short stacking energy: -32.939
Base-Backbone interact. energy: 0.183
local terms energy: -55.149173
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -2.011
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: 10
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -299.978208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.978208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.978208 (E_RNA)
where:
Base-Base interactions energy: -207.438
where: short stacking energy: -87.808
Base-Backbone interact. energy: -0.047
local terms energy: -92.493111
where:
bonds (distance) C4'-P energy: -19.918
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -24.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -288.765135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.765135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.765135 (E_RNA)
where:
Base-Base interactions energy: -195.387
where: short stacking energy: -90.288
Base-Backbone interact. energy: -0.397
local terms energy: -92.980568
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -26.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -283.382447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.382447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.382447 (E_RNA)
where:
Base-Base interactions energy: -190.881
where: short stacking energy: -71.451
Base-Backbone interact. energy: 0.064
local terms energy: -92.565906
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -20.114
flat angles P-C4'-P energy: -13.667
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: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -265.912746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.912746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.912746 (E_RNA)
where:
Base-Base interactions energy: -182.186
where: short stacking energy: -79.315
Base-Backbone interact. energy: -0.013
local terms energy: -83.713721
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -23.171
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: 5, replica: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -269.857862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.857862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.857862 (E_RNA)
where:
Base-Base interactions energy: -183.462
where: short stacking energy: -80.381
Base-Backbone interact. energy: -0.058
local terms energy: -86.337882
where:
bonds (distance) C4'-P energy: -18.660
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -2.767
tors. eta vs tors. theta energy: -26.829
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: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -250.966473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.966473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.966473 (E_RNA)
where:
Base-Base interactions energy: -156.477
where: short stacking energy: -72.310
Base-Backbone interact. energy: -0.091
local terms energy: -94.398025
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -21.702
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -23.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -203.078044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.078044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.078044 (E_RNA)
where:
Base-Base interactions energy: -129.155
where: short stacking energy: -56.199
Base-Backbone interact. energy: 0.761
local terms energy: -74.683751
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -96.383583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.383583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.383583 (E_RNA)
where:
Base-Base interactions energy: -31.009
where: short stacking energy: -27.819
Base-Backbone interact. energy: -0.597
local terms energy: -64.778246
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -109.480819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.480819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.480819 (E_RNA)
where:
Base-Base interactions energy: -52.333
where: short stacking energy: -32.531
Base-Backbone interact. energy: -0.565
local terms energy: -56.582348
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -2.995
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -99.358059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.358059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.358059 (E_RNA)
where:
Base-Base interactions energy: -31.832
where: short stacking energy: -31.498
Base-Backbone interact. energy: -0.250
local terms energy: -67.275824
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -6.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -294.647733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.647733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.647733 (E_RNA)
where:
Base-Base interactions energy: -203.919
where: short stacking energy: -79.992
Base-Backbone interact. energy: -0.078
local terms energy: -90.650980
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -24.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -285.866137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.866137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.866137 (E_RNA)
where:
Base-Base interactions energy: -199.419
where: short stacking energy: -76.205
Base-Backbone interact. energy: -0.081
local terms energy: -86.366135
where:
bonds (distance) C4'-P energy: -20.547
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -23.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -299.049343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.049343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.049343 (E_RNA)
where:
Base-Base interactions energy: -203.008
where: short stacking energy: -87.727
Base-Backbone interact. energy: -0.110
local terms energy: -95.931539
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -19.907
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -26.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -269.048422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.048422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.048422 (E_RNA)
where:
Base-Base interactions energy: -186.801
where: short stacking energy: -74.587
Base-Backbone interact. energy: 2.368
local terms energy: -84.615417
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -22.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -267.255306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.255306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.255306 (E_RNA)
where:
Base-Base interactions energy: -188.683
where: short stacking energy: -77.780
Base-Backbone interact. energy: -0.126
local terms energy: -78.446306
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -18.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -239.184180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.184180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.184180 (E_RNA)
where:
Base-Base interactions energy: -165.113
where: short stacking energy: -67.419
Base-Backbone interact. energy: -0.289
local terms energy: -73.782834
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -181.261064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.261064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.261064 (E_RNA)
where:
Base-Base interactions energy: -109.147
where: short stacking energy: -51.557
Base-Backbone interact. energy: -1.007
local terms energy: -71.107319
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -13.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -96.413538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.413538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.413538 (E_RNA)
where:
Base-Base interactions energy: -33.514
where: short stacking energy: -28.693
Base-Backbone interact. energy: -0.297
local terms energy: -62.602383
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -4.312
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: 9, replica: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -107.867153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.867153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.867153 (E_RNA)
where:
Base-Base interactions energy: -45.003
where: short stacking energy: -34.372
Base-Backbone interact. energy: -0.154
local terms energy: -62.710469
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -11.734
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: 373
Temperature: 1.350000
Total energy: -90.984435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.984435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.984435 (E_RNA)
where:
Base-Base interactions energy: -34.171
where: short stacking energy: -26.930
Base-Backbone interact. energy: -0.344
local terms energy: -56.469109
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -2.934
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: 1, replica: 8
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -291.749573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.749573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.749573 (E_RNA)
where:
Base-Base interactions energy: -201.553
where: short stacking energy: -75.659
Base-Backbone interact. energy: -0.304
local terms energy: -89.892437
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -20.719
flat angles P-C4'-P energy: -8.852
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: 2, replica: 10
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -294.404780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.404780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.404780 (E_RNA)
where:
Base-Base interactions energy: -191.309
where: short stacking energy: -85.990
Base-Backbone interact. energy: -0.379
local terms energy: -102.716799
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -29.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -300.323068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.323068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.323068 (E_RNA)
where:
Base-Base interactions energy: -211.707
where: short stacking energy: -85.271
Base-Backbone interact. energy: 1.301
local terms energy: -89.916920
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -22.555
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -26.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -267.910019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.910019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.910019 (E_RNA)
where:
Base-Base interactions energy: -176.705
where: short stacking energy: -71.926
Base-Backbone interact. energy: -0.202
local terms energy: -91.003974
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -24.249
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: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -244.449680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.449680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.449680 (E_RNA)
where:
Base-Base interactions energy: -157.923
where: short stacking energy: -73.193
Base-Backbone interact. energy: -0.197
local terms energy: -86.329651
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -19.182
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -19.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -248.598753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.598753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.598753 (E_RNA)
where:
Base-Base interactions energy: -164.700
where: short stacking energy: -77.810
Base-Backbone interact. energy: -0.237
local terms energy: -83.662072
where:
bonds (distance) C4'-P energy: -19.193
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -20.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -193.538861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.538861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.538861 (E_RNA)
where:
Base-Base interactions energy: -125.048
where: short stacking energy: -55.180
Base-Backbone interact. energy: -0.069
local terms energy: -68.422368
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -12.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -100.764359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.764359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.764359 (E_RNA)
where:
Base-Base interactions energy: -45.424
where: short stacking energy: -26.481
Base-Backbone interact. energy: -0.370
local terms energy: -54.970562
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -7.277
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: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -84.075503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.075503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.075503 (E_RNA)
where:
Base-Base interactions energy: -31.849
where: short stacking energy: -31.745
Base-Backbone interact. energy: -0.553
local terms energy: -51.674148
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -99.945717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.945717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.945717 (E_RNA)
where:
Base-Base interactions energy: -41.459
where: short stacking energy: -19.483
Base-Backbone interact. energy: -0.834
local terms energy: -57.653126
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -8.916
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: 8
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -292.384058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.384058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.384058 (E_RNA)
where:
Base-Base interactions energy: -202.321
where: short stacking energy: -81.757
Base-Backbone interact. energy: 0.189
local terms energy: -90.251978
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -11.340
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: 2, replica: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -279.128102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.128102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.128102 (E_RNA)
where:
Base-Base interactions energy: -190.477
where: short stacking energy: -84.063
Base-Backbone interact. energy: 0.129
local terms energy: -88.779512
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -21.430
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -20.593
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: 3, replica: 10
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -272.692758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.692758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.692758 (E_RNA)
where:
Base-Base interactions energy: -179.259
where: short stacking energy: -78.048
Base-Backbone interact. energy: -0.057
local terms energy: -93.376603
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -15.149
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: 4, replica: 3
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -260.790165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.790165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.790165 (E_RNA)
where:
Base-Base interactions energy: -173.057
where: short stacking energy: -77.488
Base-Backbone interact. energy: -0.024
local terms energy: -87.708632
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -23.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -239.214835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.214835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.214835 (E_RNA)
where:
Base-Base interactions energy: -163.374
where: short stacking energy: -69.882
Base-Backbone interact. energy: -0.359
local terms energy: -75.481404
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -10.467
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -262.962400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.962400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.962400 (E_RNA)
where:
Base-Base interactions energy: -176.172
where: short stacking energy: -72.549
Base-Backbone interact. energy: -0.928
local terms energy: -85.862667
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -18.277
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: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -198.386653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.386653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.386653 (E_RNA)
where:
Base-Base interactions energy: -122.504
where: short stacking energy: -52.702
Base-Backbone interact. energy: -0.049
local terms energy: -75.833490
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -13.302
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: 8, replica: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -97.888796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.888796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.888796 (E_RNA)
where:
Base-Base interactions energy: -41.300
where: short stacking energy: -18.363
Base-Backbone interact. energy: -0.370
local terms energy: -56.218059
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: 3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -100.858447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.858447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.858447 (E_RNA)
where:
Base-Base interactions energy: -39.193
where: short stacking energy: -37.255
Base-Backbone interact. energy: -0.432
local terms energy: -61.233602
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -89.972918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.972918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.972918 (E_RNA)
where:
Base-Base interactions energy: -32.384
where: short stacking energy: -32.384
Base-Backbone interact. energy: -0.278
local terms energy: -57.310330
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -294.448551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.448551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.448551 (E_RNA)
where:
Base-Base interactions energy: -201.458
where: short stacking energy: -78.738
Base-Backbone interact. energy: 0.094
local terms energy: -93.084450
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -26.470
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: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -288.717725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.717725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.717725 (E_RNA)
where:
Base-Base interactions energy: -197.647
where: short stacking energy: -85.255
Base-Backbone interact. energy: -0.024
local terms energy: -91.046475
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -23.658
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: 3, replica: 10
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -270.268876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.268876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.268876 (E_RNA)
where:
Base-Base interactions energy: -176.501
where: short stacking energy: -81.478
Base-Backbone interact. energy: -0.044
local terms energy: -93.724375
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -21.515
flat angles P-C4'-P energy: -15.074
tors. eta vs tors. theta energy: -26.842
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: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -261.250638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.250638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.250638 (E_RNA)
where:
Base-Base interactions energy: -179.604
where: short stacking energy: -77.194
Base-Backbone interact. energy: 0.001
local terms energy: -81.647248
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -23.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -242.352270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.352270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.352270 (E_RNA)
where:
Base-Base interactions energy: -164.033
where: short stacking energy: -71.957
Base-Backbone interact. energy: -0.052
local terms energy: -78.266811
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -22.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -227.934498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.934498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.934498 (E_RNA)
where:
Base-Base interactions energy: -153.699
where: short stacking energy: -70.974
Base-Backbone interact. energy: -0.043
local terms energy: -74.192624
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -17.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -204.297856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.297856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.297856 (E_RNA)
where:
Base-Base interactions energy: -129.377
where: short stacking energy: -55.175
Base-Backbone interact. energy: -0.223
local terms energy: -74.697726
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -16.425
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: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -94.429394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.429394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.429394 (E_RNA)
where:
Base-Base interactions energy: -38.760
where: short stacking energy: -29.197
Base-Backbone interact. energy: -0.385
local terms energy: -55.284612
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -3.898
tors. eta vs tors. theta energy: -4.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -90.688303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.688303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.688303 (E_RNA)
where:
Base-Base interactions energy: -23.191
where: short stacking energy: -23.191
Base-Backbone interact. energy: -0.076
local terms energy: -67.421812
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -1.071
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: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -98.698749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.698749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.698749 (E_RNA)
where:
Base-Base interactions energy: -44.016
where: short stacking energy: -18.101
Base-Backbone interact. energy: -0.317
local terms energy: -54.365955
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: 4.185
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: 8
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -301.861966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.861966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.861966 (E_RNA)
where:
Base-Base interactions energy: -203.373
where: short stacking energy: -75.691
Base-Backbone interact. energy: -0.161
local terms energy: -98.328231
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -26.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -289.820156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.820156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.820156 (E_RNA)
where:
Base-Base interactions energy: -204.246
where: short stacking energy: -85.770
Base-Backbone interact. energy: -0.105
local terms energy: -85.468710
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -19.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -273.084797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.084797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.084797 (E_RNA)
where:
Base-Base interactions energy: -179.560
where: short stacking energy: -83.211
Base-Backbone interact. energy: -0.332
local terms energy: -93.192107
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -26.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -252.954924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.954924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.954924 (E_RNA)
where:
Base-Base interactions energy: -164.730
where: short stacking energy: -77.068
Base-Backbone interact. energy: -0.117
local terms energy: -88.107858
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -16.773
tors. eta vs tors. theta energy: -18.436
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: 5, replica: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -268.494157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.494157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.494157 (E_RNA)
where:
Base-Base interactions energy: -179.962
where: short stacking energy: -82.175
Base-Backbone interact. energy: -0.024
local terms energy: -88.508818
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -25.968
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: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -237.034349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.034349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.034349 (E_RNA)
where:
Base-Base interactions energy: -153.182
where: short stacking energy: -63.052
Base-Backbone interact. energy: -0.029
local terms energy: -83.823368
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -17.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -207.742177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.742177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.742177 (E_RNA)
where:
Base-Base interactions energy: -127.652
where: short stacking energy: -51.661
Base-Backbone interact. energy: -0.877
local terms energy: -79.213441
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -15.599
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: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -91.233408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.233408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.233408 (E_RNA)
where:
Base-Base interactions energy: -28.936
where: short stacking energy: -28.936
Base-Backbone interact. energy: -0.094
local terms energy: -62.203866
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -11.295
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: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -98.736166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.736166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.736166 (E_RNA)
where:
Base-Base interactions energy: -40.676
where: short stacking energy: -37.765
Base-Backbone interact. energy: -0.145
local terms energy: -57.915231
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -90.754378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.754378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.754378 (E_RNA)
where:
Base-Base interactions energy: -25.649
where: short stacking energy: -25.649
Base-Backbone interact. energy: -0.150
local terms energy: -64.955542
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -4.085
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: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -297.725536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.725536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.725536 (E_RNA)
where:
Base-Base interactions energy: -207.779
where: short stacking energy: -84.335
Base-Backbone interact. energy: -0.095
local terms energy: -89.851944
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -274.783450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.783450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.783450 (E_RNA)
where:
Base-Base interactions energy: -188.158
where: short stacking energy: -75.286
Base-Backbone interact. energy: -0.232
local terms energy: -86.393598
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -24.593
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: 3, replica: 10
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -279.318005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.318005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.318005 (E_RNA)
where:
Base-Base interactions energy: -189.562
where: short stacking energy: -89.886
Base-Backbone interact. energy: -0.546
local terms energy: -89.210029
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -26.626
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: 4, replica: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -258.712921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.712921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.712921 (E_RNA)
where:
Base-Base interactions energy: -171.409
where: short stacking energy: -65.358
Base-Backbone interact. energy: -0.036
local terms energy: -87.267613
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -20.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -241.970249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.970249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.970249 (E_RNA)
where:
Base-Base interactions energy: -160.989
where: short stacking energy: -66.144
Base-Backbone interact. energy: -0.335
local terms energy: -80.645919
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -15.945
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: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -257.114796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.114796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.114796 (E_RNA)
where:
Base-Base interactions energy: -180.196
where: short stacking energy: -77.694
Base-Backbone interact. energy: -0.109
local terms energy: -76.810538
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -24.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -204.434015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.434015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.434015 (E_RNA)
where:
Base-Base interactions energy: -135.136
where: short stacking energy: -61.228
Base-Backbone interact. energy: -0.170
local terms energy: -69.128316
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -104.348414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.348414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.348414 (E_RNA)
where:
Base-Base interactions energy: -39.329
where: short stacking energy: -30.563
Base-Backbone interact. energy: -0.174
local terms energy: -64.844530
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -1.603
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: 9, replica: 2
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -101.094483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.094483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.094483 (E_RNA)
where:
Base-Base interactions energy: -47.611
where: short stacking energy: -40.915
Base-Backbone interact. energy: -0.338
local terms energy: -53.145010
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -5.893
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -93.540436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.540436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.540436 (E_RNA)
where:
Base-Base interactions energy: -34.495
where: short stacking energy: -26.771
Base-Backbone interact. energy: -0.122
local terms energy: -58.923563
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -5.673
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: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -287.241090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.241090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.241090 (E_RNA)
where:
Base-Base interactions energy: -193.847
where: short stacking energy: -86.230
Base-Backbone interact. energy: -0.590
local terms energy: -92.804423
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -23.060
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: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -275.987819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.987819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.987819 (E_RNA)
where:
Base-Base interactions energy: -190.785
where: short stacking energy: -71.593
Base-Backbone interact. energy: -0.181
local terms energy: -85.022249
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -26.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -287.372493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.372493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.372493 (E_RNA)
where:
Base-Base interactions energy: -192.984
where: short stacking energy: -85.101
Base-Backbone interact. energy: -0.100
local terms energy: -94.288203
where:
bonds (distance) C4'-P energy: -20.780
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -24.743
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: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -260.584893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.584893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.584893 (E_RNA)
where:
Base-Base interactions energy: -175.247
where: short stacking energy: -76.870
Base-Backbone interact. energy: -0.557
local terms energy: -84.781157
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -20.348
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: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -241.282472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.282472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.282472 (E_RNA)
where:
Base-Base interactions energy: -148.691
where: short stacking energy: -68.175
Base-Backbone interact. energy: -0.150
local terms energy: -92.440650
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -221.483632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.483632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.483632 (E_RNA)
where:
Base-Base interactions energy: -144.570
where: short stacking energy: -65.496
Base-Backbone interact. energy: 0.836
local terms energy: -77.749397
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -265.895677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.895677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.895677 (E_RNA)
where:
Base-Base interactions energy: -176.690
where: short stacking energy: -78.554
Base-Backbone interact. energy: -0.158
local terms energy: -89.047467
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -18.227
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -25.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -115.446422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.446422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.446422 (E_RNA)
where:
Base-Base interactions energy: -47.935
where: short stacking energy: -33.733
Base-Backbone interact. energy: -0.420
local terms energy: -67.091529
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -90.688509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.688509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.688509 (E_RNA)
where:
Base-Base interactions energy: -30.523
where: short stacking energy: -29.467
Base-Backbone interact. energy: -0.040
local terms energy: -60.125611
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: 1.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -93.131484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.131484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.131484 (E_RNA)
where:
Base-Base interactions energy: -31.420
where: short stacking energy: -23.511
Base-Backbone interact. energy: -0.176
local terms energy: -61.535459
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -10.955
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: 8
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -290.652605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.652605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.652605 (E_RNA)
where:
Base-Base interactions energy: -200.300
where: short stacking energy: -79.534
Base-Backbone interact. energy: -0.110
local terms energy: -90.242966
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -11.840
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: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -285.047613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.047613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.047613 (E_RNA)
where:
Base-Base interactions energy: -194.176
where: short stacking energy: -89.698
Base-Backbone interact. energy: -0.002
local terms energy: -90.869850
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -25.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -288.563619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.563619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.563619 (E_RNA)
where:
Base-Base interactions energy: -189.096
where: short stacking energy: -81.103
Base-Backbone interact. energy: -0.459
local terms energy: -99.007996
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -27.079
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: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -255.304600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.304600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.304600 (E_RNA)
where:
Base-Base interactions energy: -166.051
where: short stacking energy: -88.331
Base-Backbone interact. energy: -0.017
local terms energy: -89.236855
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -21.573
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -23.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -213.295275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.295275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.295275 (E_RNA)
where:
Base-Base interactions energy: -137.805
where: short stacking energy: -63.160
Base-Backbone interact. energy: -0.106
local terms energy: -75.384316
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -14.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -228.533889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.533889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.533889 (E_RNA)
where:
Base-Base interactions energy: -149.005
where: short stacking energy: -57.091
Base-Backbone interact. energy: -0.193
local terms energy: -79.335620
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -236.971605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.971605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.971605 (E_RNA)
where:
Base-Base interactions energy: -156.983
where: short stacking energy: -73.130
Base-Backbone interact. energy: -0.208
local terms energy: -79.780735
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -20.444
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: 380
Temperature: 1.250000
Total energy: -91.821324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.821324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.821324 (E_RNA)
where:
Base-Base interactions energy: -29.700
where: short stacking energy: -19.992
Base-Backbone interact. energy: -0.124
local terms energy: -61.997178
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -87.977575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.977575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.977575 (E_RNA)
where:
Base-Base interactions energy: -34.634
where: short stacking energy: -16.881
Base-Backbone interact. energy: -0.294
local terms energy: -53.049336
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: 0.746
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: 2
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -92.002445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.002445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.002445 (E_RNA)
where:
Base-Base interactions energy: -37.577
where: short stacking energy: -37.164
Base-Backbone interact. energy: -0.194
local terms energy: -54.231340
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -2.770
tors. eta vs tors. theta energy: -5.385
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: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -298.295294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.295294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.295294 (E_RNA)
where:
Base-Base interactions energy: -201.397
where: short stacking energy: -81.143
Base-Backbone interact. energy: -0.584
local terms energy: -96.314645
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -28.324
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: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -287.982187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.982187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.982187 (E_RNA)
where:
Base-Base interactions energy: -194.193
where: short stacking energy: -79.908
Base-Backbone interact. energy: -0.079
local terms energy: -93.709322
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -25.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -282.998648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.998648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.998648 (E_RNA)
where:
Base-Base interactions energy: -190.973
where: short stacking energy: -77.002
Base-Backbone interact. energy: -0.043
local terms energy: -91.982654
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -21.806
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -21.502
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: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -237.952459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.952459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.952459 (E_RNA)
where:
Base-Base interactions energy: -153.394
where: short stacking energy: -77.051
Base-Backbone interact. energy: -0.002
local terms energy: -84.556574
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -20.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -233.031521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.031521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.031521 (E_RNA)
where:
Base-Base interactions energy: -152.000
where: short stacking energy: -66.725
Base-Backbone interact. energy: 1.127
local terms energy: -82.158882
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -18.386
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: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -239.681536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.681536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.681536 (E_RNA)
where:
Base-Base interactions energy: -160.025
where: short stacking energy: -67.199
Base-Backbone interact. energy: -0.285
local terms energy: -79.371707
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -14.919
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: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -242.044560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.044560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.044560 (E_RNA)
where:
Base-Base interactions energy: -154.787
where: short stacking energy: -63.891
Base-Backbone interact. energy: -0.110
local terms energy: -87.147843
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -21.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -105.135363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.135363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.135363 (E_RNA)
where:
Base-Base interactions energy: -42.757
where: short stacking energy: -40.202
Base-Backbone interact. energy: 0.308
local terms energy: -62.686412
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -7.792
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: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -98.506161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.506161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.506161 (E_RNA)
where:
Base-Base interactions energy: -49.366
where: short stacking energy: -28.067
Base-Backbone interact. energy: 2.335
local terms energy: -51.474978
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: 2.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -91.576942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.576942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.576942 (E_RNA)
where:
Base-Base interactions energy: -33.292
where: short stacking energy: -20.397
Base-Backbone interact. energy: -0.449
local terms energy: -57.836472
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -21.191
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -9.282
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: 1, replica: 10
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -306.524301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.524301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.524301 (E_RNA)
where:
Base-Base interactions energy: -211.520
where: short stacking energy: -91.396
Base-Backbone interact. energy: -0.101
local terms energy: -94.902711
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -19.713
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -24.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -295.190632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.190632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.190632 (E_RNA)
where:
Base-Base interactions energy: -204.938
where: short stacking energy: -77.444
Base-Backbone interact. energy: -0.288
local terms energy: -89.964495
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -25.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -274.396462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.396462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.396462 (E_RNA)
where:
Base-Base interactions energy: -181.631
where: short stacking energy: -76.384
Base-Backbone interact. energy: -0.575
local terms energy: -92.191311
where:
bonds (distance) C4'-P energy: -19.889
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -25.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -219.989047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.989047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.989047 (E_RNA)
where:
Base-Base interactions energy: -143.295
where: short stacking energy: -62.274
Base-Backbone interact. energy: -0.148
local terms energy: -76.545883
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -20.889
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -16.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -234.435359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.435359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.435359 (E_RNA)
where:
Base-Base interactions energy: -154.342
where: short stacking energy: -63.390
Base-Backbone interact. energy: -0.178
local terms energy: -79.915142
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -15.575
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: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -234.120866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.120866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.120866 (E_RNA)
where:
Base-Base interactions energy: -161.133
where: short stacking energy: -66.768
Base-Backbone interact. energy: -0.102
local terms energy: -72.885985
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -14.577
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: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -246.270021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.270021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.270021 (E_RNA)
where:
Base-Base interactions energy: -170.725
where: short stacking energy: -74.379
Base-Backbone interact. energy: -0.070
local terms energy: -75.474583
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -19.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -96.677784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.677784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.677784 (E_RNA)
where:
Base-Base interactions energy: -37.928
where: short stacking energy: -25.927
Base-Backbone interact. energy: 1.424
local terms energy: -60.173087
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: 2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -105.063351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.063351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.063351 (E_RNA)
where:
Base-Base interactions energy: -34.951
where: short stacking energy: -34.951
Base-Backbone interact. energy: -1.185
local terms energy: -68.927023
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -91.641438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.641438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.641438 (E_RNA)
where:
Base-Base interactions energy: -35.084
where: short stacking energy: -20.244
Base-Backbone interact. energy: -0.414
local terms energy: -56.143779
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: 2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -300.130483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.130483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.130483 (E_RNA)
where:
Base-Base interactions energy: -202.970
where: short stacking energy: -85.236
Base-Backbone interact. energy: -0.075
local terms energy: -97.085873
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -26.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -288.520838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.520838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.520838 (E_RNA)
where:
Base-Base interactions energy: -198.441
where: short stacking energy: -70.244
Base-Backbone interact. energy: -0.151
local terms energy: -89.928775
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -27.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -258.771887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.771887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.771887 (E_RNA)
where:
Base-Base interactions energy: -167.046
where: short stacking energy: -76.522
Base-Backbone interact. energy: 0.601
local terms energy: -92.327174
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -15.904
tors. eta vs tors. theta energy: -20.066
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: 4, replica: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -291.394609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.394609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.394609 (E_RNA)
where:
Base-Base interactions energy: -196.871
where: short stacking energy: -85.721
Base-Backbone interact. energy: -0.072
local terms energy: -94.451677
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -14.255
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: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -232.278988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.278988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.278988 (E_RNA)
where:
Base-Base interactions energy: -158.069
where: short stacking energy: -70.948
Base-Backbone interact. energy: -0.476
local terms energy: -73.733475
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -237.609514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.609514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.609514 (E_RNA)
where:
Base-Base interactions energy: -157.952
where: short stacking energy: -64.468
Base-Backbone interact. energy: -0.444
local terms energy: -79.213599
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -17.801
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: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -225.873544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.873544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.873544 (E_RNA)
where:
Base-Base interactions energy: -148.028
where: short stacking energy: -64.957
Base-Backbone interact. energy: -0.841
local terms energy: -77.004784
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -99.967333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.967333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.967333 (E_RNA)
where:
Base-Base interactions energy: -38.020
where: short stacking energy: -33.108
Base-Backbone interact. energy: -0.040
local terms energy: -61.906888
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -2.632
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: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -93.640829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.640829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.640829 (E_RNA)
where:
Base-Base interactions energy: -43.028
where: short stacking energy: -42.822
Base-Backbone interact. energy: 0.187
local terms energy: -50.800248
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -9.872
flat angles C4'-P-C4' energy: -9.738
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -7.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -82.592940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.592940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.592940 (E_RNA)
where:
Base-Base interactions energy: -26.344
where: short stacking energy: -22.547
Base-Backbone interact. energy: -1.346
local terms energy: -54.902549
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: 4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -299.250101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.250101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.250101 (E_RNA)
where:
Base-Base interactions energy: -205.796
where: short stacking energy: -88.036
Base-Backbone interact. energy: -0.079
local terms energy: -93.375121
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -25.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -282.520281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.520281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.520281 (E_RNA)
where:
Base-Base interactions energy: -188.970
where: short stacking energy: -70.781
Base-Backbone interact. energy: -0.207
local terms energy: -93.342973
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -10.268
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: 3, replica: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -283.532779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.532779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.532779 (E_RNA)
where:
Base-Base interactions energy: -187.904
where: short stacking energy: -76.243
Base-Backbone interact. energy: -0.282
local terms energy: -95.346583
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -14.409
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: 4, replica: 7
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -260.688108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.688108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.688108 (E_RNA)
where:
Base-Base interactions energy: -172.294
where: short stacking energy: -78.917
Base-Backbone interact. energy: -0.118
local terms energy: -88.276382
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -19.735
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -19.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -245.123665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.123665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.123665 (E_RNA)
where:
Base-Base interactions energy: -160.752
where: short stacking energy: -71.540
Base-Backbone interact. energy: 2.232
local terms energy: -86.603149
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: -20.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -216.067463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.067463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.067463 (E_RNA)
where:
Base-Base interactions energy: -137.568
where: short stacking energy: -61.356
Base-Backbone interact. energy: -0.007
local terms energy: -78.492753
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -230.261664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.261664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.261664 (E_RNA)
where:
Base-Base interactions energy: -149.069
where: short stacking energy: -68.699
Base-Backbone interact. energy: -0.222
local terms energy: -80.971010
where:
bonds (distance) C4'-P energy: -20.876
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -18.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -99.754909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.754909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.754909 (E_RNA)
where:
Base-Base interactions energy: -30.449
where: short stacking energy: -30.449
Base-Backbone interact. energy: 1.562
local terms energy: -70.868332
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -3.384
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: 4
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -87.779715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.779715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.779715 (E_RNA)
where:
Base-Base interactions energy: -29.543
where: short stacking energy: -26.045
Base-Backbone interact. energy: -0.233
local terms energy: -58.003831
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -121.616740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.616740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.616740 (E_RNA)
where:
Base-Base interactions energy: -64.020
where: short stacking energy: -33.876
Base-Backbone interact. energy: -0.102
local terms energy: -57.494715
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -11.403
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: 10
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -300.816048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.816048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.816048 (E_RNA)
where:
Base-Base interactions energy: -200.529
where: short stacking energy: -94.331
Base-Backbone interact. energy: -0.079
local terms energy: -100.207614
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -28.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -285.135784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.135784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.135784 (E_RNA)
where:
Base-Base interactions energy: -195.506
where: short stacking energy: -78.931
Base-Backbone interact. energy: -0.138
local terms energy: -89.491966
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -25.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -285.999792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.999792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.999792 (E_RNA)
where:
Base-Base interactions energy: -192.151
where: short stacking energy: -71.285
Base-Backbone interact. energy: -0.023
local terms energy: -93.826280
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -25.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -277.017557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.017557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.017557 (E_RNA)
where:
Base-Base interactions energy: -179.078
where: short stacking energy: -81.640
Base-Backbone interact. energy: -0.095
local terms energy: -97.844118
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -21.320
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -23.881
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: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -228.920066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.920066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.920066 (E_RNA)
where:
Base-Base interactions energy: -146.350
where: short stacking energy: -62.338
Base-Backbone interact. energy: 1.646
local terms energy: -84.216254
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -11.876
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: 6, replica: 1
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -235.800182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.800182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.800182 (E_RNA)
where:
Base-Base interactions energy: -158.885
where: short stacking energy: -75.101
Base-Backbone interact. energy: -0.028
local terms energy: -76.886976
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -20.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -213.543069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.543069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.543069 (E_RNA)
where:
Base-Base interactions energy: -134.776
where: short stacking energy: -63.500
Base-Backbone interact. energy: -0.590
local terms energy: -78.177339
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -100.396142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.396142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.396142 (E_RNA)
where:
Base-Base interactions energy: -43.104
where: short stacking energy: -26.697
Base-Backbone interact. energy: -0.221
local terms energy: -57.071094
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -5.789
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: 9, replica: 2
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -91.205382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.205382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.205382 (E_RNA)
where:
Base-Base interactions energy: -39.642
where: short stacking energy: -20.246
Base-Backbone interact. energy: 0.953
local terms energy: -52.516711
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -5.027
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: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -85.685116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.685116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.685116 (E_RNA)
where:
Base-Base interactions energy: -32.692
where: short stacking energy: -32.692
Base-Backbone interact. energy: 0.437
local terms energy: -53.430360
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -295.895252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.895252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.895252 (E_RNA)
where:
Base-Base interactions energy: -198.156
where: short stacking energy: -84.134
Base-Backbone interact. energy: -0.103
local terms energy: -97.636553
where:
bonds (distance) C4'-P energy: -20.845
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -18.761
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -28.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -299.787368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.787368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.787368 (E_RNA)
where:
Base-Base interactions energy: -205.786
where: short stacking energy: -83.159
Base-Backbone interact. energy: 0.164
local terms energy: -94.165303
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -26.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -269.813741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.813741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.813741 (E_RNA)
where:
Base-Base interactions energy: -179.661
where: short stacking energy: -75.082
Base-Backbone interact. energy: -0.035
local terms energy: -90.116847
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -21.625
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: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -273.635240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.635240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.635240 (E_RNA)
where:
Base-Base interactions energy: -186.900
where: short stacking energy: -75.953
Base-Backbone interact. energy: -0.395
local terms energy: -86.340523
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -24.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -248.014101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.014101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.014101 (E_RNA)
where:
Base-Base interactions energy: -169.921
where: short stacking energy: -71.154
Base-Backbone interact. energy: 3.317
local terms energy: -81.410287
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -244.180728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.180728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.180728 (E_RNA)
where:
Base-Base interactions energy: -173.361
where: short stacking energy: -71.961
Base-Backbone interact. energy: -0.017
local terms energy: -70.802872
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -3.114
tors. eta vs tors. theta energy: -21.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -229.173735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.173735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.173735 (E_RNA)
where:
Base-Base interactions energy: -138.646
where: short stacking energy: -71.796
Base-Backbone interact. energy: -0.002
local terms energy: -90.525905
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: -25.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -101.323708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.323708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.323708 (E_RNA)
where:
Base-Base interactions energy: -42.775
where: short stacking energy: -29.321
Base-Backbone interact. energy: -1.326
local terms energy: -57.222866
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -114.335253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.335253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.335253 (E_RNA)
where:
Base-Base interactions energy: -53.020
where: short stacking energy: -28.275
Base-Backbone interact. energy: 2.696
local terms energy: -64.011725
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -6.112
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: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -92.451006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.451006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.451006 (E_RNA)
where:
Base-Base interactions energy: -36.834
where: short stacking energy: -33.078
Base-Backbone interact. energy: -0.173
local terms energy: -55.444611
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -298.332898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.332898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.332898 (E_RNA)
where:
Base-Base interactions energy: -208.891
where: short stacking energy: -92.255
Base-Backbone interact. energy: -0.131
local terms energy: -89.311499
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -13.802
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: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -291.942990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.942990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.942990 (E_RNA)
where:
Base-Base interactions energy: -191.182
where: short stacking energy: -87.129
Base-Backbone interact. energy: -0.002
local terms energy: -100.759284
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -26.383
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: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -283.634932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.634932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.634932 (E_RNA)
where:
Base-Base interactions energy: -189.792
where: short stacking energy: -84.349
Base-Backbone interact. energy: -0.045
local terms energy: -93.798594
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -25.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -270.390623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.390623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.390623 (E_RNA)
where:
Base-Base interactions energy: -186.050
where: short stacking energy: -72.666
Base-Backbone interact. energy: -0.472
local terms energy: -83.868815
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -24.828
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: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -279.285817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.285817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.285817 (E_RNA)
where:
Base-Base interactions energy: -192.368
where: short stacking energy: -87.031
Base-Backbone interact. energy: 0.246
local terms energy: -87.163688
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -11.340
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: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -267.849773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.849773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.849773 (E_RNA)
where:
Base-Base interactions energy: -184.045
where: short stacking energy: -70.872
Base-Backbone interact. energy: -0.077
local terms energy: -83.727433
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -21.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -218.979090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.979090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.979090 (E_RNA)
where:
Base-Base interactions energy: -148.283
where: short stacking energy: -60.602
Base-Backbone interact. energy: -0.587
local terms energy: -70.108337
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -100.986577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.986577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.986577 (E_RNA)
where:
Base-Base interactions energy: -41.634
where: short stacking energy: -22.776
Base-Backbone interact. energy: -0.249
local terms energy: -59.104069
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -99.256768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.256768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.256768 (E_RNA)
where:
Base-Base interactions energy: -41.136
where: short stacking energy: -36.876
Base-Backbone interact. energy: -0.348
local terms energy: -57.772880
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -3.588
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: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -91.894263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.894263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.894263 (E_RNA)
where:
Base-Base interactions energy: -31.965
where: short stacking energy: -28.794
Base-Backbone interact. energy: 0.003
local terms energy: -59.932254
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -6.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -282.712982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.712982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.712982 (E_RNA)
where:
Base-Base interactions energy: -187.867
where: short stacking energy: -84.940
Base-Backbone interact. energy: -0.223
local terms energy: -94.622928
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -20.255
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -24.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -285.707492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.707492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.707492 (E_RNA)
where:
Base-Base interactions energy: -197.042
where: short stacking energy: -84.593
Base-Backbone interact. energy: -0.082
local terms energy: -88.583380
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -20.441
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: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -274.595967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.595967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.595967 (E_RNA)
where:
Base-Base interactions energy: -184.747
where: short stacking energy: -73.509
Base-Backbone interact. energy: -0.115
local terms energy: -89.733992
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -14.267
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: 4, replica: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -286.068350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.068350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.068350 (E_RNA)
where:
Base-Base interactions energy: -185.053
where: short stacking energy: -89.102
Base-Backbone interact. energy: -0.098
local terms energy: -100.917312
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -27.642
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: 5, replica: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -273.054180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.054180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.054180 (E_RNA)
where:
Base-Base interactions energy: -192.391
where: short stacking energy: -77.019
Base-Backbone interact. energy: -0.075
local terms energy: -80.588196
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -24.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -275.202760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.202760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.202760 (E_RNA)
where:
Base-Base interactions energy: -185.309
where: short stacking energy: -75.338
Base-Backbone interact. energy: -0.104
local terms energy: -89.789724
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -21.684
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -206.517252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.517252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.517252 (E_RNA)
where:
Base-Base interactions energy: -126.097
where: short stacking energy: -50.960
Base-Backbone interact. energy: -0.176
local terms energy: -80.244551
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -21.113
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -11.162
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: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -98.013854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.013854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.013854 (E_RNA)
where:
Base-Base interactions energy: -37.124
where: short stacking energy: -36.890
Base-Backbone interact. energy: -0.036
local terms energy: -60.853838
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -98.209307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.209307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.209307 (E_RNA)
where:
Base-Base interactions energy: -29.634
where: short stacking energy: -29.184
Base-Backbone interact. energy: -0.204
local terms energy: -68.370485
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -5.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -91.234442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.234442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.234442 (E_RNA)
where:
Base-Base interactions energy: -29.710
where: short stacking energy: -29.536
Base-Backbone interact. energy: -0.481
local terms energy: -61.043103
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -4.455
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -287.912246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.912246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.912246 (E_RNA)
where:
Base-Base interactions energy: -198.491
where: short stacking energy: -92.109
Base-Backbone interact. energy: -0.021
local terms energy: -89.399490
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -18.895
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -27.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -268.136265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.136265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.136265 (E_RNA)
where:
Base-Base interactions energy: -187.728
where: short stacking energy: -72.282
Base-Backbone interact. energy: 0.092
local terms energy: -80.499830
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -22.106
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: 3, replica: 10
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -295.524952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.524952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.524952 (E_RNA)
where:
Base-Base interactions energy: -209.598
where: short stacking energy: -93.242
Base-Backbone interact. energy: -0.016
local terms energy: -85.911081
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -24.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -275.479043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.479043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.479043 (E_RNA)
where:
Base-Base interactions energy: -180.671
where: short stacking energy: -85.158
Base-Backbone interact. energy: -0.061
local terms energy: -94.746977
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -11.566
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: 5, replica: 7
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -246.867372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.867372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.867372 (E_RNA)
where:
Base-Base interactions energy: -161.314
where: short stacking energy: -76.664
Base-Backbone interact. energy: 0.121
local terms energy: -85.674779
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -23.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -253.253616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.253616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.253616 (E_RNA)
where:
Base-Base interactions energy: -167.028
where: short stacking energy: -75.619
Base-Backbone interact. energy: -0.088
local terms energy: -86.137752
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -22.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -223.488049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.488049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.488049 (E_RNA)
where:
Base-Base interactions energy: -139.029
where: short stacking energy: -59.658
Base-Backbone interact. energy: -0.015
local terms energy: -84.443578
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -113.754309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.754309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.754309 (E_RNA)
where:
Base-Base interactions energy: -54.854
where: short stacking energy: -39.683
Base-Backbone interact. energy: -0.312
local terms energy: -58.588794
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -3.290
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -6.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -101.422716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.422716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.422716 (E_RNA)
where:
Base-Base interactions energy: -34.250
where: short stacking energy: -34.143
Base-Backbone interact. energy: -0.375
local terms energy: -66.797096
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -0.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -87.002298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.002298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.002298 (E_RNA)
where:
Base-Base interactions energy: -33.108
where: short stacking energy: -33.108
Base-Backbone interact. energy: 1.526
local terms energy: -55.420802
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -288.844830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.844830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.844830 (E_RNA)
where:
Base-Base interactions energy: -192.071
where: short stacking energy: -80.603
Base-Backbone interact. energy: -0.113
local terms energy: -96.661278
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -25.443
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: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -280.680957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.680957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.680957 (E_RNA)
where:
Base-Base interactions energy: -194.969
where: short stacking energy: -82.786
Base-Backbone interact. energy: -0.133
local terms energy: -85.578481
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -22.703
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: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -284.795435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.795435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.795435 (E_RNA)
where:
Base-Base interactions energy: -193.131
where: short stacking energy: -83.256
Base-Backbone interact. energy: -0.009
local terms energy: -91.655667
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -23.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -272.422846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.422846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.422846 (E_RNA)
where:
Base-Base interactions energy: -182.161
where: short stacking energy: -89.226
Base-Backbone interact. energy: -0.953
local terms energy: -89.308337
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -26.226
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: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -255.232958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.232958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.232958 (E_RNA)
where:
Base-Base interactions energy: -181.781
where: short stacking energy: -76.158
Base-Backbone interact. energy: -0.100
local terms energy: -73.352230
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -18.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -245.119614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.119614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.119614 (E_RNA)
where:
Base-Base interactions energy: -163.672
where: short stacking energy: -80.177
Base-Backbone interact. energy: -0.003
local terms energy: -81.445189
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -20.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -206.619824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.619824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.619824 (E_RNA)
where:
Base-Base interactions energy: -134.078
where: short stacking energy: -61.390
Base-Backbone interact. energy: 0.779
local terms energy: -73.320994
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -17.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -101.721732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.721732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.721732 (E_RNA)
where:
Base-Base interactions energy: -33.538
where: short stacking energy: -33.538
Base-Backbone interact. energy: -0.208
local terms energy: -67.975628
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -5.946
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: 4
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -92.346991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.346991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.346991 (E_RNA)
where:
Base-Base interactions energy: -34.691
where: short stacking energy: -31.666
Base-Backbone interact. energy: -0.046
local terms energy: -57.609846
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: 0.458
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: 10, replica: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -91.655784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.655784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.655784 (E_RNA)
where:
Base-Base interactions energy: -36.645
where: short stacking energy: -36.645
Base-Backbone interact. energy: -0.106
local terms energy: -54.905207
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -5.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -296.054639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.054639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.054639 (E_RNA)
where:
Base-Base interactions energy: -209.819
where: short stacking energy: -87.574
Base-Backbone interact. energy: -0.023
local terms energy: -86.213132
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -22.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -287.719501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.719501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.719501 (E_RNA)
where:
Base-Base interactions energy: -198.663
where: short stacking energy: -82.768
Base-Backbone interact. energy: -0.096
local terms energy: -88.960414
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -22.143
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: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -280.409290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.409290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.409290 (E_RNA)
where:
Base-Base interactions energy: -192.084
where: short stacking energy: -75.637
Base-Backbone interact. energy: -0.162
local terms energy: -88.162456
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -268.762292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.762292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.762292 (E_RNA)
where:
Base-Base interactions energy: -186.369
where: short stacking energy: -83.865
Base-Backbone interact. energy: -0.113
local terms energy: -82.280875
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -21.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -272.096142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.096142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.096142 (E_RNA)
where:
Base-Base interactions energy: -181.471
where: short stacking energy: -78.815
Base-Backbone interact. energy: -0.059
local terms energy: -90.566774
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -25.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -247.440874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.440874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.440874 (E_RNA)
where:
Base-Base interactions energy: -170.887
where: short stacking energy: -88.476
Base-Backbone interact. energy: -0.003
local terms energy: -76.550395
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -8.814
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -22.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -201.105780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.105780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.105780 (E_RNA)
where:
Base-Base interactions energy: -127.034
where: short stacking energy: -54.179
Base-Backbone interact. energy: 0.390
local terms energy: -74.461069
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -15.234
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: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -105.565819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.565819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.565819 (E_RNA)
where:
Base-Base interactions energy: -42.706
where: short stacking energy: -31.609
Base-Backbone interact. energy: -0.417
local terms energy: -62.443034
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -4.896
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: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -92.207392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.207392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.207392 (E_RNA)
where:
Base-Base interactions energy: -36.810
where: short stacking energy: -31.948
Base-Backbone interact. energy: 0.578
local terms energy: -55.975284
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -1.459
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: 391
Temperature: 1.350000
Total energy: -94.974567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.974567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.974567 (E_RNA)
where:
Base-Base interactions energy: -32.102
where: short stacking energy: -19.836
Base-Backbone interact. energy: -0.253
local terms energy: -62.619646
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -1.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -285.920062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.920062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.920062 (E_RNA)
where:
Base-Base interactions energy: -196.351
where: short stacking energy: -80.596
Base-Backbone interact. energy: -0.006
local terms energy: -89.563219
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -24.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -298.491227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.491227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.491227 (E_RNA)
where:
Base-Base interactions energy: -199.807
where: short stacking energy: -80.306
Base-Backbone interact. energy: -0.105
local terms energy: -98.579509
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -22.424
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -27.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -283.295329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.295329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.295329 (E_RNA)
where:
Base-Base interactions energy: -186.666
where: short stacking energy: -84.651
Base-Backbone interact. energy: -0.039
local terms energy: -96.590569
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -29.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -281.227627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.227627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.227627 (E_RNA)
where:
Base-Base interactions energy: -198.215
where: short stacking energy: -89.360
Base-Backbone interact. energy: -0.085
local terms energy: -82.928067
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -26.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -259.476784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.476784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.476784 (E_RNA)
where:
Base-Base interactions energy: -176.282
where: short stacking energy: -76.236
Base-Backbone interact. energy: -0.025
local terms energy: -83.169317
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -21.370
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -21.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -245.523030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.523030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.523030 (E_RNA)
where:
Base-Base interactions energy: -168.679
where: short stacking energy: -73.237
Base-Backbone interact. energy: 1.137
local terms energy: -77.981275
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -23.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -165.490756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.490756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.490756 (E_RNA)
where:
Base-Base interactions energy: -104.047
where: short stacking energy: -54.225
Base-Backbone interact. energy: -0.003
local terms energy: -61.441135
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: 0.365
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -102.024039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.024039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.024039 (E_RNA)
where:
Base-Base interactions energy: -38.592
where: short stacking energy: -35.391
Base-Backbone interact. energy: -0.150
local terms energy: -63.282649
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -6.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -97.526376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.526376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.526376 (E_RNA)
where:
Base-Base interactions energy: -37.194
where: short stacking energy: -37.003
Base-Backbone interact. energy: -0.096
local terms energy: -60.236270
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -3.760
tors. eta vs tors. theta energy: -9.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -88.831832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.831832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.831832 (E_RNA)
where:
Base-Base interactions energy: -38.239
where: short stacking energy: -24.323
Base-Backbone interact. energy: 1.236
local terms energy: -51.829202
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: 1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -291.980453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.980453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.980453 (E_RNA)
where:
Base-Base interactions energy: -201.240
where: short stacking energy: -76.653
Base-Backbone interact. energy: -0.127
local terms energy: -90.613286
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -21.577
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -283.870862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.870862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.870862 (E_RNA)
where:
Base-Base interactions energy: -185.562
where: short stacking energy: -76.456
Base-Backbone interact. energy: -1.049
local terms energy: -97.259883
where:
bonds (distance) C4'-P energy: -20.579
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -22.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -288.203400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.203400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.203400 (E_RNA)
where:
Base-Base interactions energy: -207.511
where: short stacking energy: -84.445
Base-Backbone interact. energy: -0.103
local terms energy: -80.589197
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -270.014234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.014234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.014234 (E_RNA)
where:
Base-Base interactions energy: -179.552
where: short stacking energy: -78.600
Base-Backbone interact. energy: -0.002
local terms energy: -90.460175
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -28.101
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: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -277.640224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.640224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.640224 (E_RNA)
where:
Base-Base interactions energy: -194.434
where: short stacking energy: -79.375
Base-Backbone interact. energy: -0.135
local terms energy: -83.071229
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -21.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -258.190927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.190927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.190927 (E_RNA)
where:
Base-Base interactions energy: -182.357
where: short stacking energy: -72.415
Base-Backbone interact. energy: -0.027
local terms energy: -75.807847
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -7.896
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -16.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -104.915145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.915145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.915145 (E_RNA)
where:
Base-Base interactions energy: -40.616
where: short stacking energy: -28.266
Base-Backbone interact. energy: -0.344
local terms energy: -63.954689
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -0.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -101.140377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.140377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.140377 (E_RNA)
where:
Base-Base interactions energy: -42.614
where: short stacking energy: -31.450
Base-Backbone interact. energy: -0.936
local terms energy: -57.590241
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -5.341
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: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -96.927801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.927801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.927801 (E_RNA)
where:
Base-Base interactions energy: -32.339
where: short stacking energy: -29.508
Base-Backbone interact. energy: -0.176
local terms energy: -64.412748
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -6.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -91.808135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.808135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.808135 (E_RNA)
where:
Base-Base interactions energy: -35.964
where: short stacking energy: -35.709
Base-Backbone interact. energy: -0.261
local terms energy: -55.583247
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -8.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -294.059126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.059126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.059126 (E_RNA)
where:
Base-Base interactions energy: -202.146
where: short stacking energy: -78.512
Base-Backbone interact. energy: -0.044
local terms energy: -91.869450
where:
bonds (distance) C4'-P energy: -21.444
bonds (distance) P-C4' energy: -20.012
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -21.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -288.106198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.106198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.106198 (E_RNA)
where:
Base-Base interactions energy: -196.848
where: short stacking energy: -91.035
Base-Backbone interact. energy: -0.098
local terms energy: -91.160749
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -24.045
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: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -279.091173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.091173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.091173 (E_RNA)
where:
Base-Base interactions energy: -187.618
where: short stacking energy: -86.176
Base-Backbone interact. energy: -0.001
local terms energy: -91.472304
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -26.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -271.641874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.641874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.641874 (E_RNA)
where:
Base-Base interactions energy: -186.615
where: short stacking energy: -78.239
Base-Backbone interact. energy: -0.025
local terms energy: -85.002252
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -22.211
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: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -272.412548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.412548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.412548 (E_RNA)
where:
Base-Base interactions energy: -182.304
where: short stacking energy: -81.483
Base-Backbone interact. energy: -0.159
local terms energy: -89.949017
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -22.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -225.262660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.262660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.262660 (E_RNA)
where:
Base-Base interactions energy: -147.934
where: short stacking energy: -60.518
Base-Backbone interact. energy: -0.713
local terms energy: -76.614946
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -11.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -123.022712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.022712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.022712 (E_RNA)
where:
Base-Base interactions energy: -60.861
where: short stacking energy: -31.899
Base-Backbone interact. energy: -0.227
local terms energy: -61.934150
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -3.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -98.524793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.524793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.524793 (E_RNA)
where:
Base-Base interactions energy: -38.193
where: short stacking energy: -38.193
Base-Backbone interact. energy: 0.640
local terms energy: -60.971704
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -4.347
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: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -97.213068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.213068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.213068 (E_RNA)
where:
Base-Base interactions energy: -38.896
where: short stacking energy: -26.857
Base-Backbone interact. energy: -1.003
local terms energy: -57.314065
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -86.689698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.689698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.689698 (E_RNA)
where:
Base-Base interactions energy: -31.078
where: short stacking energy: -27.312
Base-Backbone interact. energy: 0.013
local terms energy: -55.624816
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -0.700
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: 1, replica: 8
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -287.533274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.533274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.533274 (E_RNA)
where:
Base-Base interactions energy: -188.791
where: short stacking energy: -72.033
Base-Backbone interact. energy: -0.073
local terms energy: -98.668371
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -23.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -301.435434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.435434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.435434 (E_RNA)
where:
Base-Base interactions energy: -216.006
where: short stacking energy: -91.416
Base-Backbone interact. energy: -0.034
local terms energy: -85.395242
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -11.191
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: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -280.366730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.366730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.366730 (E_RNA)
where:
Base-Base interactions energy: -197.160
where: short stacking energy: -88.111
Base-Backbone interact. energy: -0.016
local terms energy: -83.191541
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -8.536
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -27.875
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: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -282.529185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.529185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.529185 (E_RNA)
where:
Base-Base interactions energy: -190.525
where: short stacking energy: -83.035
Base-Backbone interact. energy: -0.091
local terms energy: -91.913773
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -25.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -269.530978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.530978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.530978 (E_RNA)
where:
Base-Base interactions energy: -183.600
where: short stacking energy: -74.312
Base-Backbone interact. energy: -0.095
local terms energy: -85.835763
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -17.031
tors. eta vs tors. theta energy: -18.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -233.555710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.555710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.555710 (E_RNA)
where:
Base-Base interactions energy: -157.188
where: short stacking energy: -57.414
Base-Backbone interact. energy: -0.064
local terms energy: -76.303429
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -15.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -108.677476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.677476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.677476 (E_RNA)
where:
Base-Base interactions energy: -49.635
where: short stacking energy: -25.217
Base-Backbone interact. energy: -0.393
local terms energy: -58.649160
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -2.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -105.902566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.902566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.902566 (E_RNA)
where:
Base-Base interactions energy: -41.088
where: short stacking energy: -38.759
Base-Backbone interact. energy: -0.087
local terms energy: -64.728066
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -92.704752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.704752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.704752 (E_RNA)
where:
Base-Base interactions energy: -38.598
where: short stacking energy: -19.713
Base-Backbone interact. energy: 0.185
local terms energy: -54.291904
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: 0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -97.727388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.727388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.727388 (E_RNA)
where:
Base-Base interactions energy: -45.507
where: short stacking energy: -33.944
Base-Backbone interact. energy: -0.785
local terms energy: -51.436171
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -3.265
tors. eta vs tors. theta energy: -6.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -277.807510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.807510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.807510 (E_RNA)
where:
Base-Base interactions energy: -192.413
where: short stacking energy: -75.023
Base-Backbone interact. energy: 0.740
local terms energy: -86.134292
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -21.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -299.972355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.972355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.972355 (E_RNA)
where:
Base-Base interactions energy: -216.872
where: short stacking energy: -87.926
Base-Backbone interact. energy: -0.086
local terms energy: -83.014628
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -26.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -284.509170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.509170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.509170 (E_RNA)
where:
Base-Base interactions energy: -196.454
where: short stacking energy: -86.362
Base-Backbone interact. energy: -0.584
local terms energy: -87.470997
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -20.275
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -21.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -275.455967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.455967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.455967 (E_RNA)
where:
Base-Base interactions energy: -183.326
where: short stacking energy: -74.439
Base-Backbone interact. energy: -0.048
local terms energy: -92.082057
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -20.805
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -22.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -247.952635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.952635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.952635 (E_RNA)
where:
Base-Base interactions energy: -152.165
where: short stacking energy: -80.486
Base-Backbone interact. energy: 0.134
local terms energy: -95.921386
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -19.758
flat angles P-C4'-P energy: -14.976
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: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -231.437167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.437167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.437167 (E_RNA)
where:
Base-Base interactions energy: -149.239
where: short stacking energy: -59.193
Base-Backbone interact. energy: -0.065
local terms energy: -82.133309
where:
bonds (distance) C4'-P energy: -20.894
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -17.093
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: 4
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -103.132576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.132576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.132576 (E_RNA)
where:
Base-Base interactions energy: -42.504
where: short stacking energy: -35.222
Base-Backbone interact. energy: -1.259
local terms energy: -59.369504
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -19.984
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -104.685954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.685954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.685954 (E_RNA)
where:
Base-Base interactions energy: -37.294
where: short stacking energy: -36.307
Base-Backbone interact. energy: -0.296
local terms energy: -67.096256
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -10.721
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: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -107.393553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.393553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.393553 (E_RNA)
where:
Base-Base interactions energy: -51.185
where: short stacking energy: -39.767
Base-Backbone interact. energy: -0.186
local terms energy: -56.022311
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -8.995
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -2.131
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: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -83.655581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.655581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.655581 (E_RNA)
where:
Base-Base interactions energy: -33.679
where: short stacking energy: -23.694
Base-Backbone interact. energy: 0.298
local terms energy: -50.274544
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: 1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -277.838829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.838829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.838829 (E_RNA)
where:
Base-Base interactions energy: -181.944
where: short stacking energy: -75.903
Base-Backbone interact. energy: -0.005
local terms energy: -95.890169
where:
bonds (distance) C4'-P energy: -19.769
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -23.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -297.973378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.973378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.973378 (E_RNA)
where:
Base-Base interactions energy: -204.812
where: short stacking energy: -83.682
Base-Backbone interact. energy: -0.119
local terms energy: -93.042151
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -23.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -266.292056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.292056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.292056 (E_RNA)
where:
Base-Base interactions energy: -182.608
where: short stacking energy: -76.458
Base-Backbone interact. energy: -1.187
local terms energy: -82.496600
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -23.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -278.029247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.029247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.029247 (E_RNA)
where:
Base-Base interactions energy: -183.058
where: short stacking energy: -81.370
Base-Backbone interact. energy: -0.803
local terms energy: -94.168688
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -23.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -245.461425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.461425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.461425 (E_RNA)
where:
Base-Base interactions energy: -160.344
where: short stacking energy: -73.122
Base-Backbone interact. energy: -0.103
local terms energy: -85.014949
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -9.406
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -23.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -251.813608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.813608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.813608 (E_RNA)
where:
Base-Base interactions energy: -170.405
where: short stacking energy: -80.380
Base-Backbone interact. energy: -0.111
local terms energy: -81.297221
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -9.610
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -24.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -110.797012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.797012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.797012 (E_RNA)
where:
Base-Base interactions energy: -45.148
where: short stacking energy: -41.677
Base-Backbone interact. energy: -0.009
local terms energy: -65.639641
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -19.053
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -10.034
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: 9
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -135.917451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.917451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.917451 (E_RNA)
where:
Base-Base interactions energy: -71.100
where: short stacking energy: -38.309
Base-Backbone interact. energy: -0.179
local terms energy: -64.638224
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -8.926
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: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -97.768922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.768922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.768922 (E_RNA)
where:
Base-Base interactions energy: -31.358
where: short stacking energy: -26.402
Base-Backbone interact. energy: -0.300
local terms energy: -66.111143
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -84.674264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.674264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.674264 (E_RNA)
where:
Base-Base interactions energy: -30.745
where: short stacking energy: -28.084
Base-Backbone interact. energy: -0.118
local terms energy: -53.811143
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -299.316530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.316530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.316530 (E_RNA)
where:
Base-Base interactions energy: -205.305
where: short stacking energy: -88.022
Base-Backbone interact. energy: -0.005
local terms energy: -94.006088
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -18.425
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -25.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -286.637591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.637591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.637591 (E_RNA)
where:
Base-Base interactions energy: -200.492
where: short stacking energy: -79.188
Base-Backbone interact. energy: -0.199
local terms energy: -85.947028
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -20.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -285.056900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.056900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.056900 (E_RNA)
where:
Base-Base interactions energy: -185.090
where: short stacking energy: -79.796
Base-Backbone interact. energy: -0.091
local terms energy: -99.875482
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -10.494
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: 4, replica: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -264.656331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.656331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.656331 (E_RNA)
where:
Base-Base interactions energy: -174.762
where: short stacking energy: -71.593
Base-Backbone interact. energy: 0.289
local terms energy: -90.183251
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -24.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -239.036687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.036687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.036687 (E_RNA)
where:
Base-Base interactions energy: -161.981
where: short stacking energy: -71.037
Base-Backbone interact. energy: -0.367
local terms energy: -76.689101
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -19.592
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: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -235.009240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.009240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.009240 (E_RNA)
where:
Base-Base interactions energy: -153.481
where: short stacking energy: -73.981
Base-Backbone interact. energy: -0.052
local terms energy: -81.475520
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -20.121
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -116.415414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.415414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.415414 (E_RNA)
where:
Base-Base interactions energy: -53.246
where: short stacking energy: -30.203
Base-Backbone interact. energy: -0.590
local terms energy: -62.578994
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -4.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -107.370633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.370633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.370633 (E_RNA)
where:
Base-Base interactions energy: -46.461
where: short stacking energy: -44.814
Base-Backbone interact. energy: -0.068
local terms energy: -60.841805
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -10.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -96.969103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.969103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.969103 (E_RNA)
where:
Base-Base interactions energy: -37.514
where: short stacking energy: -32.716
Base-Backbone interact. energy: -0.432
local terms energy: -59.023362
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -9.606
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: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -92.084343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.084343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.084343 (E_RNA)
where:
Base-Base interactions energy: -31.971
where: short stacking energy: -23.583
Base-Backbone interact. energy: 0.234
local terms energy: -60.347376
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -2.113
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: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -299.183236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.183236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.183236 (E_RNA)
where:
Base-Base interactions energy: -203.175
where: short stacking energy: -84.220
Base-Backbone interact. energy: -0.138
local terms energy: -95.869815
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -25.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -287.604012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.604012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.604012 (E_RNA)
where:
Base-Base interactions energy: -201.366
where: short stacking energy: -89.451
Base-Backbone interact. energy: -0.053
local terms energy: -86.184836
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -28.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -276.303777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.303777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.303777 (E_RNA)
where:
Base-Base interactions energy: -186.498
where: short stacking energy: -76.099
Base-Backbone interact. energy: -0.457
local terms energy: -89.349653
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -20.741
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -278.740989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.740989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.740989 (E_RNA)
where:
Base-Base interactions energy: -187.918
where: short stacking energy: -75.364
Base-Backbone interact. energy: -0.127
local terms energy: -90.696719
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -19.786
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -239.285581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.285581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.285581 (E_RNA)
where:
Base-Base interactions energy: -158.253
where: short stacking energy: -64.098
Base-Backbone interact. energy: -0.671
local terms energy: -80.361642
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -232.326373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.326373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.326373 (E_RNA)
where:
Base-Base interactions energy: -146.584
where: short stacking energy: -66.231
Base-Backbone interact. energy: -0.347
local terms energy: -85.395130
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -108.783282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.783282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.783282 (E_RNA)
where:
Base-Base interactions energy: -53.856
where: short stacking energy: -26.856
Base-Backbone interact. energy: 0.693
local terms energy: -55.620176
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: 1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -136.292880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.292880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.292880 (E_RNA)
where:
Base-Base interactions energy: -69.309
where: short stacking energy: -38.639
Base-Backbone interact. energy: -1.507
local terms energy: -65.477343
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -96.118544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.118544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.118544 (E_RNA)
where:
Base-Base interactions energy: -30.885
where: short stacking energy: -30.530
Base-Backbone interact. energy: 0.825
local terms energy: -66.058087
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -11.623
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: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -88.283948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.283948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.283948 (E_RNA)
where:
Base-Base interactions energy: -37.312
where: short stacking energy: -33.199
Base-Backbone interact. energy: 0.225
local terms energy: -51.197483
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -4.923
tors. eta vs tors. theta energy: -0.935
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: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -301.654353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.654353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.654353 (E_RNA)
where:
Base-Base interactions energy: -203.913
where: short stacking energy: -87.414
Base-Backbone interact. energy: -0.012
local terms energy: -97.729179
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -22.776
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -22.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -287.793056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.793056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.793056 (E_RNA)
where:
Base-Base interactions energy: -195.399
where: short stacking energy: -86.081
Base-Backbone interact. energy: -0.211
local terms energy: -92.182678
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -24.880
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: 3, replica: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -288.276059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.276059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.276059 (E_RNA)
where:
Base-Base interactions energy: -203.607
where: short stacking energy: -77.511
Base-Backbone interact. energy: -0.174
local terms energy: -84.494799
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -25.232
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: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -265.468761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.468761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.468761 (E_RNA)
where:
Base-Base interactions energy: -172.073
where: short stacking energy: -75.136
Base-Backbone interact. energy: -1.433
local terms energy: -91.962713
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -247.824281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.824281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.824281 (E_RNA)
where:
Base-Base interactions energy: -167.554
where: short stacking energy: -67.181
Base-Backbone interact. energy: -0.136
local terms energy: -80.134975
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -16.159
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: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -255.072824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.072824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.072824 (E_RNA)
where:
Base-Base interactions energy: -167.180
where: short stacking energy: -71.133
Base-Backbone interact. energy: -0.092
local terms energy: -87.801046
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -22.286
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: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -110.798850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.798850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.798850 (E_RNA)
where:
Base-Base interactions energy: -50.670
where: short stacking energy: -40.044
Base-Backbone interact. energy: -0.127
local terms energy: -60.001420
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -6.011
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: 400
Temperature: 1.250000
Total energy: -114.234897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.234897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.234897 (E_RNA)
where:
Base-Base interactions energy: -51.263
where: short stacking energy: -29.442
Base-Backbone interact. energy: -0.280
local terms energy: -62.691584
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -21.194
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -99.609296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.609296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.609296 (E_RNA)
where:
Base-Base interactions energy: -32.632
where: short stacking energy: -24.327
Base-Backbone interact. energy: 0.980
local terms energy: -67.957509
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -85.148919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.148919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.148919 (E_RNA)
where:
Base-Base interactions energy: -27.680
where: short stacking energy: -25.145
Base-Backbone interact. energy: -0.170
local terms energy: -57.298594
where:
bonds (distance) C4'-P energy: -22.210
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: 1.536
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: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -290.350660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.350660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.350660 (E_RNA)
where:
Base-Base interactions energy: -200.558
where: short stacking energy: -81.482
Base-Backbone interact. energy: 1.315
local terms energy: -91.107075
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -19.850
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -22.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -284.941996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.941996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.941996 (E_RNA)
where:
Base-Base interactions energy: -187.481
where: short stacking energy: -83.875
Base-Backbone interact. energy: -0.203
local terms energy: -97.257618
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -27.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -272.957809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.957809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.957809 (E_RNA)
where:
Base-Base interactions energy: -191.662
where: short stacking energy: -69.779
Base-Backbone interact. energy: -0.020
local terms energy: -81.275752
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -22.461
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: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -266.316310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.316310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.316310 (E_RNA)
where:
Base-Base interactions energy: -180.229
where: short stacking energy: -85.925
Base-Backbone interact. energy: -0.010
local terms energy: -86.077604
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -19.684
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -22.408
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: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -252.826126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.826126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.826126 (E_RNA)
where:
Base-Base interactions energy: -167.588
where: short stacking energy: -70.334
Base-Backbone interact. energy: -0.082
local terms energy: -85.156757
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -19.604
flat angles P-C4'-P energy: -10.590
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: 6, replica: 3
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -261.333340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.333340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.333340 (E_RNA)
where:
Base-Base interactions energy: -173.709
where: short stacking energy: -76.819
Base-Backbone interact. energy: -0.116
local terms energy: -87.508317
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -13.755
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: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -108.904954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.904954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.904954 (E_RNA)
where:
Base-Base interactions energy: -47.450
where: short stacking energy: -41.084
Base-Backbone interact. energy: -0.269
local terms energy: -61.185535
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -5.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -88.060971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.060971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.060971 (E_RNA)
where:
Base-Base interactions energy: -33.124
where: short stacking energy: -11.367
Base-Backbone interact. energy: -0.172
local terms energy: -54.764895
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -7.253
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: 0.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -99.996566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.996566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.996566 (E_RNA)
where:
Base-Base interactions energy: -41.141
where: short stacking energy: -32.896
Base-Backbone interact. energy: -1.160
local terms energy: -57.695576
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -2.564
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: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -88.263347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.263347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.263347 (E_RNA)
where:
Base-Base interactions energy: -33.051
where: short stacking energy: -33.051
Base-Backbone interact. energy: -0.047
local terms energy: -55.165538
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -6.066
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: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -289.155070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.155070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.155070 (E_RNA)
where:
Base-Base interactions energy: -196.124
where: short stacking energy: -83.213
Base-Backbone interact. energy: -0.817
local terms energy: -92.214155
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -19.727
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -26.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -274.593394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.593394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.593394 (E_RNA)
where:
Base-Base interactions energy: -183.506
where: short stacking energy: -77.123
Base-Backbone interact. energy: -0.150
local terms energy: -90.937211
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -23.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -277.579508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.579508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.579508 (E_RNA)
where:
Base-Base interactions energy: -197.261
where: short stacking energy: -73.515
Base-Backbone interact. energy: -0.464
local terms energy: -79.854576
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -21.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -276.591320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.591320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.591320 (E_RNA)
where:
Base-Base interactions energy: -179.810
where: short stacking energy: -80.328
Base-Backbone interact. energy: -0.013
local terms energy: -96.768354
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: -25.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -265.306160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.306160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.306160 (E_RNA)
where:
Base-Base interactions energy: -179.565
where: short stacking energy: -79.736
Base-Backbone interact. energy: -0.027
local terms energy: -85.714710
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -20.532
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: 402
Temperature: 1.150000
Total energy: -260.371019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.371019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.371019 (E_RNA)
where:
Base-Base interactions energy: -171.643
where: short stacking energy: -82.129
Base-Backbone interact. energy: 0.483
local terms energy: -89.211375
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -19.068
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -25.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -101.531064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.531064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.531064 (E_RNA)
where:
Base-Base interactions energy: -42.266
where: short stacking energy: -36.681
Base-Backbone interact. energy: -0.187
local terms energy: -59.077939
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -6.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -95.731818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.731818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.731818 (E_RNA)
where:
Base-Base interactions energy: -38.093
where: short stacking energy: -38.093
Base-Backbone interact. energy: -0.388
local terms energy: -57.251229
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -8.433
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -100.957548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.957548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.957548 (E_RNA)
where:
Base-Base interactions energy: -35.078
where: short stacking energy: -33.335
Base-Backbone interact. energy: -0.120
local terms energy: -65.759198
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -99.008932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.008932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.008932 (E_RNA)
where:
Base-Base interactions energy: -43.154
where: short stacking energy: -38.243
Base-Backbone interact. energy: -0.227
local terms energy: -55.628765
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -2.635
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: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -300.368176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.368176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.368176 (E_RNA)
where:
Base-Base interactions energy: -207.598
where: short stacking energy: -87.866
Base-Backbone interact. energy: 0.242
local terms energy: -93.012099
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -20.249
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -23.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -280.075006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.075006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.075006 (E_RNA)
where:
Base-Base interactions energy: -196.094
where: short stacking energy: -73.778
Base-Backbone interact. energy: -1.024
local terms energy: -82.957583
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -20.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -280.938867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.938867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.938867 (E_RNA)
where:
Base-Base interactions energy: -198.552
where: short stacking energy: -80.692
Base-Backbone interact. energy: -0.162
local terms energy: -82.224771
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -18.500
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -24.233
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: 4, replica: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -277.698727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.698727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.698727 (E_RNA)
where:
Base-Base interactions energy: -192.582
where: short stacking energy: -83.110
Base-Backbone interact. energy: -0.174
local terms energy: -84.942746
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -25.890
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: 5, replica: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -259.843861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.843861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.843861 (E_RNA)
where:
Base-Base interactions energy: -181.903
where: short stacking energy: -83.445
Base-Backbone interact. energy: -0.126
local terms energy: -77.814776
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -23.175
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: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -259.769577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.769577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.769577 (E_RNA)
where:
Base-Base interactions energy: -169.436
where: short stacking energy: -77.399
Base-Backbone interact. energy: -0.717
local terms energy: -89.616569
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -27.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -101.432170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.432170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.432170 (E_RNA)
where:
Base-Base interactions energy: -42.009
where: short stacking energy: -42.509
Base-Backbone interact. energy: -0.461
local terms energy: -58.961991
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -5.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -96.813223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.813223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.813223 (E_RNA)
where:
Base-Base interactions energy: -28.370
where: short stacking energy: -25.310
Base-Backbone interact. energy: -0.470
local terms energy: -67.973239
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -9.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -95.489060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.489060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.489060 (E_RNA)
where:
Base-Base interactions energy: -43.023
where: short stacking energy: -26.610
Base-Backbone interact. energy: -0.154
local terms energy: -52.312239
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: 2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -95.782223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.782223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.782223 (E_RNA)
where:
Base-Base interactions energy: -34.088
where: short stacking energy: -30.436
Base-Backbone interact. energy: -0.007
local terms energy: -61.687628
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -293.901400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.901400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.901400 (E_RNA)
where:
Base-Base interactions energy: -201.587
where: short stacking energy: -80.404
Base-Backbone interact. energy: -0.102
local terms energy: -92.212515
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -25.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -297.382605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.382605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.382605 (E_RNA)
where:
Base-Base interactions energy: -200.936
where: short stacking energy: -82.439
Base-Backbone interact. energy: -0.050
local terms energy: -96.396560
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -25.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -278.930589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.930589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.930589 (E_RNA)
where:
Base-Base interactions energy: -182.527
where: short stacking energy: -83.786
Base-Backbone interact. energy: -0.024
local terms energy: -96.380365
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -28.309
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: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -275.323321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.323321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.323321 (E_RNA)
where:
Base-Base interactions energy: -179.622
where: short stacking energy: -69.115
Base-Backbone interact. energy: -0.943
local terms energy: -94.758815
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -23.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -265.112305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.112305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.112305 (E_RNA)
where:
Base-Base interactions energy: -174.975
where: short stacking energy: -86.373
Base-Backbone interact. energy: 0.961
local terms energy: -91.098619
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -25.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -256.378722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.378722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.378722 (E_RNA)
where:
Base-Base interactions energy: -180.891
where: short stacking energy: -69.421
Base-Backbone interact. energy: -0.336
local terms energy: -75.151529
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -16.484
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: 7, replica: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -106.337577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.337577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.337577 (E_RNA)
where:
Base-Base interactions energy: -43.787
where: short stacking energy: -43.787
Base-Backbone interact. energy: -0.031
local terms energy: -62.519786
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -8.130
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: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -89.155409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.155409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.155409 (E_RNA)
where:
Base-Base interactions energy: -20.975
where: short stacking energy: -19.103
Base-Backbone interact. energy: -0.132
local terms energy: -68.048706
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -3.412
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: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -89.646695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.646695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.646695 (E_RNA)
where:
Base-Base interactions energy: -35.768
where: short stacking energy: -32.362
Base-Backbone interact. energy: -0.127
local terms energy: -53.750880
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -87.515606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.515606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.515606 (E_RNA)
where:
Base-Base interactions energy: -35.613
where: short stacking energy: -29.792
Base-Backbone interact. energy: -0.178
local terms energy: -51.724847
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: 2.049
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: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -304.280300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.280300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.280300 (E_RNA)
where:
Base-Base interactions energy: -207.463
where: short stacking energy: -85.398
Base-Backbone interact. energy: -0.100
local terms energy: -96.717345
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -19.983
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -26.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -285.576336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.576336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.576336 (E_RNA)
where:
Base-Base interactions energy: -186.046
where: short stacking energy: -87.917
Base-Backbone interact. energy: -0.160
local terms energy: -99.370764
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -29.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -280.544379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.544379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.544379 (E_RNA)
where:
Base-Base interactions energy: -185.502
where: short stacking energy: -78.926
Base-Backbone interact. energy: -0.340
local terms energy: -94.702759
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -21.015
flat angles P-C4'-P energy: -16.705
tors. eta vs tors. theta energy: -23.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -277.815917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.815917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.815917 (E_RNA)
where:
Base-Base interactions energy: -190.415
where: short stacking energy: -73.506
Base-Backbone interact. energy: 0.271
local terms energy: -87.672055
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -20.425
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: 8
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -236.620803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.620803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.620803 (E_RNA)
where:
Base-Base interactions energy: -156.081
where: short stacking energy: -60.098
Base-Backbone interact. energy: -0.299
local terms energy: -80.240903
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -228.407006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.407006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.407006 (E_RNA)
where:
Base-Base interactions energy: -151.949
where: short stacking energy: -68.779
Base-Backbone interact. energy: -0.138
local terms energy: -76.319867
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -16.241
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: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -122.686386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.686386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.686386 (E_RNA)
where:
Base-Base interactions energy: -65.841
where: short stacking energy: -55.399
Base-Backbone interact. energy: -0.109
local terms energy: -56.736729
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -4.498
tors. eta vs tors. theta energy: -9.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -96.434687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.434687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.434687 (E_RNA)
where:
Base-Base interactions energy: -31.894
where: short stacking energy: -31.664
Base-Backbone interact. energy: -0.090
local terms energy: -64.451104
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: 0.097
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: 9, replica: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -95.529586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.529586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.529586 (E_RNA)
where:
Base-Base interactions energy: -46.781
where: short stacking energy: -23.475
Base-Backbone interact. energy: 0.072
local terms energy: -48.820825
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -3.732
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: 2
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -85.011427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.011427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.011427 (E_RNA)
where:
Base-Base interactions energy: -30.893
where: short stacking energy: -21.617
Base-Backbone interact. energy: -0.319
local terms energy: -53.799644
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -267.408790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.408790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.408790 (E_RNA)
where:
Base-Base interactions energy: -167.073
where: short stacking energy: -64.719
Base-Backbone interact. energy: -0.620
local terms energy: -99.715208
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -23.076
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: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -288.782066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.782066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.782066 (E_RNA)
where:
Base-Base interactions energy: -186.667
where: short stacking energy: -85.316
Base-Backbone interact. energy: -0.008
local terms energy: -102.107148
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -26.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -283.978369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.978369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.978369 (E_RNA)
where:
Base-Base interactions energy: -191.449
where: short stacking energy: -82.073
Base-Backbone interact. energy: -0.041
local terms energy: -92.488454
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -25.309
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: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -271.369800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.369800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.369800 (E_RNA)
where:
Base-Base interactions energy: -180.513
where: short stacking energy: -77.420
Base-Backbone interact. energy: 0.665
local terms energy: -91.521753
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -20.426
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: 5, replica: 3
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -240.402690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.402690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.402690 (E_RNA)
where:
Base-Base interactions energy: -160.781
where: short stacking energy: -77.355
Base-Backbone interact. energy: -0.014
local terms energy: -79.607285
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -23.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -220.634309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.634309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.634309 (E_RNA)
where:
Base-Base interactions energy: -139.363
where: short stacking energy: -70.531
Base-Backbone interact. energy: -0.251
local terms energy: -81.020364
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -112.486460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.486460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.486460 (E_RNA)
where:
Base-Base interactions energy: -58.415
where: short stacking energy: -28.225
Base-Backbone interact. energy: -0.383
local terms energy: -53.688815
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -18.348
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -0.324
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: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -92.189693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.189693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.189693 (E_RNA)
where:
Base-Base interactions energy: -41.731
where: short stacking energy: -34.222
Base-Backbone interact. energy: -0.233
local terms energy: -50.225465
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -1.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -144.521005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.521005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.521005 (E_RNA)
where:
Base-Base interactions energy: -77.813
where: short stacking energy: -42.745
Base-Backbone interact. energy: -0.099
local terms energy: -66.609542
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -96.905528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.905528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.905528 (E_RNA)
where:
Base-Base interactions energy: -40.105
where: short stacking energy: -23.279
Base-Backbone interact. energy: -0.521
local terms energy: -56.278878
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -278.339729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.339729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.339729 (E_RNA)
where:
Base-Base interactions energy: -181.767
where: short stacking energy: -80.404
Base-Backbone interact. energy: 0.732
local terms energy: -97.305198
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -22.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -296.056789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.056789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.056789 (E_RNA)
where:
Base-Base interactions energy: -201.306
where: short stacking energy: -83.079
Base-Backbone interact. energy: -0.001
local terms energy: -94.749743
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -20.087
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -25.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -274.781164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.781164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.781164 (E_RNA)
where:
Base-Base interactions energy: -183.571
where: short stacking energy: -81.800
Base-Backbone interact. energy: -0.239
local terms energy: -90.971072
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -20.210
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -23.090
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: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -278.102282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.102282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.102282 (E_RNA)
where:
Base-Base interactions energy: -185.445
where: short stacking energy: -77.673
Base-Backbone interact. energy: -0.449
local terms energy: -92.208531
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -26.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -255.523568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.523568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.523568 (E_RNA)
where:
Base-Base interactions energy: -170.500
where: short stacking energy: -71.363
Base-Backbone interact. energy: -0.212
local terms energy: -84.811514
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -217.643085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.643085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.643085 (E_RNA)
where:
Base-Base interactions energy: -136.852
where: short stacking energy: -62.458
Base-Backbone interact. energy: -0.114
local terms energy: -80.677041
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -21.463
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -15.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -109.933117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.933117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.933117 (E_RNA)
where:
Base-Base interactions energy: -41.964
where: short stacking energy: -35.884
Base-Backbone interact. energy: -0.913
local terms energy: -67.055848
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -98.115668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.115668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.115668 (E_RNA)
where:
Base-Base interactions energy: -34.854
where: short stacking energy: -26.479
Base-Backbone interact. energy: -0.249
local terms energy: -63.012287
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: 1.426
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: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -96.891982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.891982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.891982 (E_RNA)
where:
Base-Base interactions energy: -38.450
where: short stacking energy: -26.278
Base-Backbone interact. energy: -0.057
local terms energy: -58.385641
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -89.768877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.768877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.768877 (E_RNA)
where:
Base-Base interactions energy: -36.316
where: short stacking energy: -16.445
Base-Backbone interact. energy: 2.403
local terms energy: -55.856277
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: 3.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -296.571050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.571050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.571050 (E_RNA)
where:
Base-Base interactions energy: -195.602
where: short stacking energy: -73.587
Base-Backbone interact. energy: -0.214
local terms energy: -100.755233
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -26.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -277.163988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.163988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.163988 (E_RNA)
where:
Base-Base interactions energy: -189.529
where: short stacking energy: -73.584
Base-Backbone interact. energy: -1.059
local terms energy: -86.576338
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -282.627120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.627120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.627120 (E_RNA)
where:
Base-Base interactions energy: -193.501
where: short stacking energy: -82.972
Base-Backbone interact. energy: -0.079
local terms energy: -89.046794
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -28.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -267.876625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.876625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.876625 (E_RNA)
where:
Base-Base interactions energy: -181.772
where: short stacking energy: -89.651
Base-Backbone interact. energy: -0.182
local terms energy: -85.922347
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -19.839
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -24.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -273.352339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.352339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.352339 (E_RNA)
where:
Base-Base interactions energy: -188.651
where: short stacking energy: -82.669
Base-Backbone interact. energy: 4.438
local terms energy: -89.138785
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -20.698
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -22.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -222.211586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.211586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.211586 (E_RNA)
where:
Base-Base interactions energy: -141.300
where: short stacking energy: -64.871
Base-Backbone interact. energy: -0.101
local terms energy: -80.811171
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -21.518
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: 2
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -128.500131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.500131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.500131 (E_RNA)
where:
Base-Base interactions energy: -64.824
where: short stacking energy: -28.509
Base-Backbone interact. energy: -0.305
local terms energy: -63.370943
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -6.032
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -97.137742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.137742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.137742 (E_RNA)
where:
Base-Base interactions energy: -27.830
where: short stacking energy: -21.923
Base-Backbone interact. energy: -0.124
local terms energy: -69.184061
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -91.286816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.286816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.286816 (E_RNA)
where:
Base-Base interactions energy: -38.456
where: short stacking energy: -38.456
Base-Backbone interact. energy: 0.435
local terms energy: -53.265486
where:
bonds (distance) C4'-P energy: -5.854
bonds (distance) P-C4' energy: -19.275
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -89.706313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.706313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.706313 (E_RNA)
where:
Base-Base interactions energy: -31.901
where: short stacking energy: -24.787
Base-Backbone interact. energy: -0.532
local terms energy: -57.273768
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -2.942
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: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -292.182795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.182795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.182795 (E_RNA)
where:
Base-Base interactions energy: -192.450
where: short stacking energy: -89.745
Base-Backbone interact. energy: -0.063
local terms energy: -99.669531
where:
bonds (distance) C4'-P energy: -21.427
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -27.171
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: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -282.188954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.188954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.188954 (E_RNA)
where:
Base-Base interactions energy: -193.311
where: short stacking energy: -85.493
Base-Backbone interact. energy: -0.253
local terms energy: -88.625316
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -20.286
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -24.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -275.854239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.854239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.854239 (E_RNA)
where:
Base-Base interactions energy: -190.366
where: short stacking energy: -71.258
Base-Backbone interact. energy: -0.271
local terms energy: -85.217442
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -16.614
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -262.690982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.690982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.690982 (E_RNA)
where:
Base-Base interactions energy: -171.237
where: short stacking energy: -71.970
Base-Backbone interact. energy: 0.597
local terms energy: -92.051497
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -22.993
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: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -275.372099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.372099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.372099 (E_RNA)
where:
Base-Base interactions energy: -183.781
where: short stacking energy: -82.543
Base-Backbone interact. energy: -0.079
local terms energy: -91.511853
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -27.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -231.883225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.883225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.883225 (E_RNA)
where:
Base-Base interactions energy: -148.647
where: short stacking energy: -70.617
Base-Backbone interact. energy: -0.241
local terms energy: -82.995764
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -19.342
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: 7, replica: 2
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -111.023907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.023907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.023907 (E_RNA)
where:
Base-Base interactions energy: -46.577
where: short stacking energy: -37.346
Base-Backbone interact. energy: 1.069
local terms energy: -65.516030
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -101.461920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.461920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.461920 (E_RNA)
where:
Base-Base interactions energy: -42.061
where: short stacking energy: -31.090
Base-Backbone interact. energy: -0.244
local terms energy: -59.156939
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -103.921160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.921160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.921160 (E_RNA)
where:
Base-Base interactions energy: -40.924
where: short stacking energy: -33.639
Base-Backbone interact. energy: 0.357
local terms energy: -63.355017
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -4.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -92.329473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.329473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.329473 (E_RNA)
where:
Base-Base interactions energy: -39.957
where: short stacking energy: -28.203
Base-Backbone interact. energy: -0.257
local terms energy: -52.115834
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -7.352
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -5.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -284.513121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.513121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.513121 (E_RNA)
where:
Base-Base interactions energy: -191.433
where: short stacking energy: -90.289
Base-Backbone interact. energy: -0.086
local terms energy: -92.994340
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -28.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -284.532093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.532093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.532093 (E_RNA)
where:
Base-Base interactions energy: -194.817
where: short stacking energy: -81.047
Base-Backbone interact. energy: -0.250
local terms energy: -89.465759
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -25.295
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: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -274.191260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.191260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.191260 (E_RNA)
where:
Base-Base interactions energy: -176.412
where: short stacking energy: -81.667
Base-Backbone interact. energy: -0.046
local terms energy: -97.733208
where:
bonds (distance) C4'-P energy: -20.253
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -20.958
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: 10
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -264.600667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.600667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.600667 (E_RNA)
where:
Base-Base interactions energy: -178.816
where: short stacking energy: -76.698
Base-Backbone interact. energy: -0.157
local terms energy: -85.627648
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -20.934
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: 1
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -251.456898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.456898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.456898 (E_RNA)
where:
Base-Base interactions energy: -167.445
where: short stacking energy: -73.851
Base-Backbone interact. energy: -0.121
local terms energy: -83.890714
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -17.046
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: 6, replica: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -217.979030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.979030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.979030 (E_RNA)
where:
Base-Base interactions energy: -146.211
where: short stacking energy: -64.225
Base-Backbone interact. energy: -0.091
local terms energy: -71.677558
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -107.768647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.768647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.768647 (E_RNA)
where:
Base-Base interactions energy: -46.892
where: short stacking energy: -41.807
Base-Backbone interact. energy: 1.817
local terms energy: -62.693848
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -6.862
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: 2
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -123.461803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.461803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.461803 (E_RNA)
where:
Base-Base interactions energy: -75.790
where: short stacking energy: -41.931
Base-Backbone interact. energy: 2.069
local terms energy: -49.740821
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -6.189
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: 9, replica: 4
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -98.812564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.812564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.812564 (E_RNA)
where:
Base-Base interactions energy: -48.307
where: short stacking energy: -35.905
Base-Backbone interact. energy: -0.271
local terms energy: -50.235009
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -103.273591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.273591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.273591 (E_RNA)
where:
Base-Base interactions energy: -44.567
where: short stacking energy: -43.137
Base-Backbone interact. energy: -0.309
local terms energy: -58.397733
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -8.273
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: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -285.497690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.497690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.497690 (E_RNA)
where:
Base-Base interactions energy: -192.065
where: short stacking energy: -78.927
Base-Backbone interact. energy: 0.622
local terms energy: -94.054873
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -23.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -275.243767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.243767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.243767 (E_RNA)
where:
Base-Base interactions energy: -179.122
where: short stacking energy: -79.366
Base-Backbone interact. energy: -0.049
local terms energy: -96.072792
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -280.051440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.051440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.051440 (E_RNA)
where:
Base-Base interactions energy: -181.906
where: short stacking energy: -83.927
Base-Backbone interact. energy: -0.046
local terms energy: -98.100222
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -21.841
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -27.061
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: 411
Temperature: 1.050000
Total energy: -278.740217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.740217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.740217 (E_RNA)
where:
Base-Base interactions energy: -191.148
where: short stacking energy: -76.889
Base-Backbone interact. energy: -0.102
local terms energy: -87.491212
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: -25.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -254.531304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.531304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.531304 (E_RNA)
where:
Base-Base interactions energy: -178.120
where: short stacking energy: -67.322
Base-Backbone interact. energy: -0.022
local terms energy: -76.389010
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -18.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -223.845061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.845061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.845061 (E_RNA)
where:
Base-Base interactions energy: -157.451
where: short stacking energy: -64.975
Base-Backbone interact. energy: -0.135
local terms energy: -66.258558
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -104.103104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.103104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.103104 (E_RNA)
where:
Base-Base interactions energy: -35.997
where: short stacking energy: -35.997
Base-Backbone interact. energy: -0.134
local terms energy: -67.972397
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -5.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -103.091813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.091813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.091813 (E_RNA)
where:
Base-Base interactions energy: -37.635
where: short stacking energy: -36.527
Base-Backbone interact. energy: -0.268
local terms energy: -65.188529
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -9.201
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: 2
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -96.147690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.147690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.147690 (E_RNA)
where:
Base-Base interactions energy: -35.217
where: short stacking energy: -34.359
Base-Backbone interact. energy: -0.388
local terms energy: -60.543533
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -4.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -91.892346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.892346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.892346 (E_RNA)
where:
Base-Base interactions energy: -32.252
where: short stacking energy: -28.714
Base-Backbone interact. energy: 0.280
local terms energy: -59.919780
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -4.531
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -292.554724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.554724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.554724 (E_RNA)
where:
Base-Base interactions energy: -196.782
where: short stacking energy: -78.329
Base-Backbone interact. energy: -0.205
local terms energy: -95.567291
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -19.553
flat angles P-C4'-P energy: -14.450
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: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -283.305304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.305304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.305304 (E_RNA)
where:
Base-Base interactions energy: -195.474
where: short stacking energy: -90.861
Base-Backbone interact. energy: 2.289
local terms energy: -90.120372
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -23.989
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: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -276.543643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.543643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.543643 (E_RNA)
where:
Base-Base interactions energy: -183.718
where: short stacking energy: -73.765
Base-Backbone interact. energy: -0.007
local terms energy: -92.818306
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -22.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -277.191274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.191274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.191274 (E_RNA)
where:
Base-Base interactions energy: -195.628
where: short stacking energy: -79.982
Base-Backbone interact. energy: -0.477
local terms energy: -81.086796
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -22.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -277.598329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.598329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.598329 (E_RNA)
where:
Base-Base interactions energy: -194.029
where: short stacking energy: -79.220
Base-Backbone interact. energy: -0.089
local terms energy: -83.480331
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -21.760
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: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -210.600391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.600391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.600391 (E_RNA)
where:
Base-Base interactions energy: -137.038
where: short stacking energy: -58.031
Base-Backbone interact. energy: -0.236
local terms energy: -73.326614
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -11.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -106.322863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.322863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.322863 (E_RNA)
where:
Base-Base interactions energy: -45.372
where: short stacking energy: -26.279
Base-Backbone interact. energy: -0.072
local terms energy: -60.878497
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -117.768947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.768947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.768947 (E_RNA)
where:
Base-Base interactions energy: -44.721
where: short stacking energy: -43.417
Base-Backbone interact. energy: -0.266
local terms energy: -72.781856
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -10.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -97.383127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.383127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.383127 (E_RNA)
where:
Base-Base interactions energy: -41.395
where: short stacking energy: -36.649
Base-Backbone interact. energy: 5.139
local terms energy: -61.127151
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -1.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -100.158907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.158907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.158907 (E_RNA)
where:
Base-Base interactions energy: -37.471
where: short stacking energy: -37.471
Base-Backbone interact. energy: -0.045
local terms energy: -62.643741
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -8.664
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -7.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -287.144539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.144539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.144539 (E_RNA)
where:
Base-Base interactions energy: -184.149
where: short stacking energy: -89.749
Base-Backbone interact. energy: -0.002
local terms energy: -102.993902
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -16.614
tors. eta vs tors. theta energy: -29.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -289.537501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.537501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.537501 (E_RNA)
where:
Base-Base interactions energy: -199.490
where: short stacking energy: -83.325
Base-Backbone interact. energy: -0.571
local terms energy: -89.476280
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -22.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -280.193081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.193081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.193081 (E_RNA)
where:
Base-Base interactions energy: -183.653
where: short stacking energy: -88.004
Base-Backbone interact. energy: -0.004
local terms energy: -96.536151
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -25.491
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: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -281.194935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.194935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.194935 (E_RNA)
where:
Base-Base interactions energy: -197.192
where: short stacking energy: -88.689
Base-Backbone interact. energy: -0.128
local terms energy: -83.874634
where:
bonds (distance) C4'-P energy: -8.995
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -23.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -277.226603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.226603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.226603 (E_RNA)
where:
Base-Base interactions energy: -187.761
where: short stacking energy: -81.314
Base-Backbone interact. energy: -1.322
local terms energy: -88.143955
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -20.384
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -222.456247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.456247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.456247 (E_RNA)
where:
Base-Base interactions energy: -141.103
where: short stacking energy: -72.810
Base-Backbone interact. energy: 0.318
local terms energy: -81.671576
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -18.176
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -20.454
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: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -105.555920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.555920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.555920 (E_RNA)
where:
Base-Base interactions energy: -44.322
where: short stacking energy: -30.135
Base-Backbone interact. energy: -0.236
local terms energy: -60.998117
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -2.815
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: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -94.513905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.513905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.513905 (E_RNA)
where:
Base-Base interactions energy: -35.480
where: short stacking energy: -32.847
Base-Backbone interact. energy: -0.054
local terms energy: -58.979593
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -1.196
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: 9, replica: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -97.572595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.572595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.572595 (E_RNA)
where:
Base-Base interactions energy: -44.805
where: short stacking energy: -28.760
Base-Backbone interact. energy: -0.056
local terms energy: -52.712221
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: 1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -94.267023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.267023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.267023 (E_RNA)
where:
Base-Base interactions energy: -30.542
where: short stacking energy: -30.542
Base-Backbone interact. energy: -0.115
local terms energy: -63.610601
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -7.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -302.140215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.140215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.140215 (E_RNA)
where:
Base-Base interactions energy: -206.091
where: short stacking energy: -85.635
Base-Backbone interact. energy: -0.656
local terms energy: -95.392622
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -25.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -282.066223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.066223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.066223 (E_RNA)
where:
Base-Base interactions energy: -184.376
where: short stacking energy: -74.779
Base-Backbone interact. energy: -0.281
local terms energy: -97.408717
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -26.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -280.076571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.076571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.076571 (E_RNA)
where:
Base-Base interactions energy: -196.772
where: short stacking energy: -84.170
Base-Backbone interact. energy: -0.148
local terms energy: -83.156228
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -23.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -276.828520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.828520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.828520 (E_RNA)
where:
Base-Base interactions energy: -185.505
where: short stacking energy: -81.330
Base-Backbone interact. energy: -0.002
local terms energy: -91.321204
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -9.546
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -15.507
tors. eta vs tors. theta energy: -26.788
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: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -263.395252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.395252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.395252 (E_RNA)
where:
Base-Base interactions energy: -176.551
where: short stacking energy: -79.670
Base-Backbone interact. energy: -0.045
local terms energy: -86.799268
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -21.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -209.563835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.563835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.563835 (E_RNA)
where:
Base-Base interactions energy: -129.684
where: short stacking energy: -67.334
Base-Backbone interact. energy: -0.054
local terms energy: -79.826052
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -17.414
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: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -102.911638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.911638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.911638 (E_RNA)
where:
Base-Base interactions energy: -43.058
where: short stacking energy: -41.091
Base-Backbone interact. energy: -0.140
local terms energy: -59.713606
where:
bonds (distance) C4'-P energy: -6.949
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -97.363931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.363931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.363931 (E_RNA)
where:
Base-Base interactions energy: -42.403
where: short stacking energy: -40.008
Base-Backbone interact. energy: 1.517
local terms energy: -56.478319
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -7.394
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: 414
Temperature: 1.300000
Total energy: -102.114036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.114036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.114036 (E_RNA)
where:
Base-Base interactions energy: -35.507
where: short stacking energy: -31.181
Base-Backbone interact. energy: -1.261
local terms energy: -65.346452
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -20.917
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -2.712
tors. eta vs tors. theta energy: -10.659
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: 2
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -88.150903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.150903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.150903 (E_RNA)
where:
Base-Base interactions energy: -31.633
where: short stacking energy: -27.965
Base-Backbone interact. energy: -0.285
local terms energy: -56.232764
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -298.189451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.189451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.189451 (E_RNA)
where:
Base-Base interactions energy: -201.894
where: short stacking energy: -82.325
Base-Backbone interact. energy: -0.163
local terms energy: -96.132157
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -24.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -292.913441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.913441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.913441 (E_RNA)
where:
Base-Base interactions energy: -193.810
where: short stacking energy: -80.472
Base-Backbone interact. energy: -0.068
local terms energy: -99.035491
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -15.109
tors. eta vs tors. theta energy: -27.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -281.643245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.643245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.643245 (E_RNA)
where:
Base-Base interactions energy: -186.152
where: short stacking energy: -81.812
Base-Backbone interact. energy: -0.020
local terms energy: -95.471051
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -17.487
tors. eta vs tors. theta energy: -24.952
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: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -251.675482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.675482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.675482 (E_RNA)
where:
Base-Base interactions energy: -162.365
where: short stacking energy: -80.940
Base-Backbone interact. energy: -0.162
local terms energy: -89.148536
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -25.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -271.020789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.020789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.020789 (E_RNA)
where:
Base-Base interactions energy: -171.627
where: short stacking energy: -82.950
Base-Backbone interact. energy: -0.068
local terms energy: -99.325560
where:
bonds (distance) C4'-P energy: -22.736
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -25.862
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: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -206.154372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.154372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.154372 (E_RNA)
where:
Base-Base interactions energy: -122.355
where: short stacking energy: -63.281
Base-Backbone interact. energy: -0.017
local terms energy: -83.782246
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -9.575
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: 7, replica: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -98.596657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.596657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.596657 (E_RNA)
where:
Base-Base interactions energy: -42.544
where: short stacking energy: -38.024
Base-Backbone interact. energy: -0.144
local terms energy: -55.909100
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: 0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -121.960560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.960560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.960560 (E_RNA)
where:
Base-Base interactions energy: -66.298
where: short stacking energy: -34.036
Base-Backbone interact. energy: -0.106
local terms energy: -55.556653
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: 2.847
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: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -87.459063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.459063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.459063 (E_RNA)
where:
Base-Base interactions energy: -31.698
where: short stacking energy: -24.144
Base-Backbone interact. energy: -0.013
local terms energy: -55.748065
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -0.936
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: 10, replica: 2
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -92.443607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.443607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.443607 (E_RNA)
where:
Base-Base interactions energy: -35.395
where: short stacking energy: -32.068
Base-Backbone interact. energy: -0.506
local terms energy: -56.541732
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -3.451
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: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -306.021772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.021772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.021772 (E_RNA)
where:
Base-Base interactions energy: -208.735
where: short stacking energy: -86.582
Base-Backbone interact. energy: -0.136
local terms energy: -97.150635
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -27.838
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: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -294.641553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.641553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.641553 (E_RNA)
where:
Base-Base interactions energy: -196.792
where: short stacking energy: -82.696
Base-Backbone interact. energy: -0.130
local terms energy: -97.719165
where:
bonds (distance) C4'-P energy: -20.141
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -23.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -279.323433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.323433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.323433 (E_RNA)
where:
Base-Base interactions energy: -187.548
where: short stacking energy: -75.324
Base-Backbone interact. energy: -0.535
local terms energy: -91.240320
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -20.236
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -15.347
tors. eta vs tors. theta energy: -24.455
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: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -265.812495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.812495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.812495 (E_RNA)
where:
Base-Base interactions energy: -181.906
where: short stacking energy: -76.945
Base-Backbone interact. energy: -0.138
local terms energy: -83.769333
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -20.711
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -24.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -270.805265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.805265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.805265 (E_RNA)
where:
Base-Base interactions energy: -178.736
where: short stacking energy: -82.134
Base-Backbone interact. energy: -0.100
local terms energy: -91.969062
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -25.084
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: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -218.070025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.070025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.070025 (E_RNA)
where:
Base-Base interactions energy: -141.439
where: short stacking energy: -65.262
Base-Backbone interact. energy: -0.108
local terms energy: -76.522912
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -20.202
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: 416
Temperature: 1.200000
Total energy: -118.763522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.763522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.763522 (E_RNA)
where:
Base-Base interactions energy: -61.344
where: short stacking energy: -38.189
Base-Backbone interact. energy: -0.272
local terms energy: -57.146835
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -5.088
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -9.256
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: 8, replica: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -102.371963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.371963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.371963 (E_RNA)
where:
Base-Base interactions energy: -45.689
where: short stacking energy: -23.002
Base-Backbone interact. energy: 0.205
local terms energy: -56.887985
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -0.854
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: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -92.258114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.258114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.258114 (E_RNA)
where:
Base-Base interactions energy: -34.540
where: short stacking energy: -22.578
Base-Backbone interact. energy: 1.605
local terms energy: -59.323083
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: 0.890
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: 2
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -90.557924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.557924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.557924 (E_RNA)
where:
Base-Base interactions energy: -36.277
where: short stacking energy: -24.214
Base-Backbone interact. energy: -0.057
local terms energy: -54.223989
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: 2.208
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: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -302.454396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.454396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.454396 (E_RNA)
where:
Base-Base interactions energy: -207.147
where: short stacking energy: -85.491
Base-Backbone interact. energy: -0.376
local terms energy: -94.931240
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -24.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -289.611981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.611981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.611981 (E_RNA)
where:
Base-Base interactions energy: -195.085
where: short stacking energy: -81.103
Base-Backbone interact. energy: -0.437
local terms energy: -94.089568
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -22.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -265.505244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.505244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.505244 (E_RNA)
where:
Base-Base interactions energy: -179.776
where: short stacking energy: -71.339
Base-Backbone interact. energy: -0.120
local terms energy: -85.609640
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -17.796
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: 4, replica: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -274.893293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.893293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.893293 (E_RNA)
where:
Base-Base interactions energy: -180.503
where: short stacking energy: -89.312
Base-Backbone interact. energy: -0.652
local terms energy: -93.738729
where:
bonds (distance) C4'-P energy: -9.398
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -14.449
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: 5, replica: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -260.219077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.219077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.219077 (E_RNA)
where:
Base-Base interactions energy: -174.806
where: short stacking energy: -74.097
Base-Backbone interact. energy: -0.050
local terms energy: -85.363483
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -25.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -215.828773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.828773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.828773 (E_RNA)
where:
Base-Base interactions energy: -137.272
where: short stacking energy: -62.628
Base-Backbone interact. energy: -0.073
local terms energy: -78.483421
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -16.021
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: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -108.397510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.397510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.397510 (E_RNA)
where:
Base-Base interactions energy: -39.661
where: short stacking energy: -30.995
Base-Backbone interact. energy: -0.295
local terms energy: -68.441019
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -8.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -101.237963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.237963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.237963 (E_RNA)
where:
Base-Base interactions energy: -46.226
where: short stacking energy: -32.647
Base-Backbone interact. energy: 2.816
local terms energy: -57.828037
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -107.977238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.977238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.977238 (E_RNA)
where:
Base-Base interactions energy: -45.235
where: short stacking energy: -32.009
Base-Backbone interact. energy: 0.898
local terms energy: -63.640518
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -7.672
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: 10, replica: 2
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -92.434134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.434134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.434134 (E_RNA)
where:
Base-Base interactions energy: -34.740
where: short stacking energy: -25.075
Base-Backbone interact. energy: 0.025
local terms energy: -57.718977
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -1.486
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: 10
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -296.889499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.889499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.889499 (E_RNA)
where:
Base-Base interactions energy: -201.644
where: short stacking energy: -85.189
Base-Backbone interact. energy: -0.019
local terms energy: -95.226003
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -21.394
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -22.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -294.657319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.657319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.657319 (E_RNA)
where:
Base-Base interactions energy: -205.153
where: short stacking energy: -81.690
Base-Backbone interact. energy: -0.143
local terms energy: -89.361910
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -23.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -273.608090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.608090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.608090 (E_RNA)
where:
Base-Base interactions energy: -182.430
where: short stacking energy: -80.210
Base-Backbone interact. energy: -0.020
local terms energy: -91.157778
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -23.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -276.186821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.186821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.186821 (E_RNA)
where:
Base-Base interactions energy: -196.882
where: short stacking energy: -82.163
Base-Backbone interact. energy: -0.549
local terms energy: -78.755477
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -9.231
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: 5, replica: 8
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -218.708551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.708551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.708551 (E_RNA)
where:
Base-Base interactions energy: -138.351
where: short stacking energy: -60.210
Base-Backbone interact. energy: 0.124
local terms energy: -80.481825
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -20.161
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: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -279.650122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.650122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.650122 (E_RNA)
where:
Base-Base interactions energy: -194.429
where: short stacking energy: -81.524
Base-Backbone interact. energy: -0.005
local terms energy: -85.215945
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -112.478796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.478796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.478796 (E_RNA)
where:
Base-Base interactions energy: -55.906
where: short stacking energy: -32.312
Base-Backbone interact. energy: -0.309
local terms energy: -56.263830
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -7.271
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: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -110.411787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.411787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.411787 (E_RNA)
where:
Base-Base interactions energy: -62.781
where: short stacking energy: -24.495
Base-Backbone interact. energy: 2.881
local terms energy: -50.511584
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: 5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -107.889707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.889707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.889707 (E_RNA)
where:
Base-Base interactions energy: -47.939
where: short stacking energy: -42.514
Base-Backbone interact. energy: 0.203
local terms energy: -60.154204
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -8.655
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: 418
Temperature: 1.350000
Total energy: -101.657373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.657373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.657373 (E_RNA)
where:
Base-Base interactions energy: -40.047
where: short stacking energy: -31.074
Base-Backbone interact. energy: -0.336
local terms energy: -61.274043
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -298.049134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.049134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.049134 (E_RNA)
where:
Base-Base interactions energy: -202.477
where: short stacking energy: -82.736
Base-Backbone interact. energy: -0.048
local terms energy: -95.524598
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -15.017
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: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -287.466230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.466230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.466230 (E_RNA)
where:
Base-Base interactions energy: -195.593
where: short stacking energy: -79.828
Base-Backbone interact. energy: -0.152
local terms energy: -91.720522
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -20.134
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -24.544
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: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -280.093730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.093730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.093730 (E_RNA)
where:
Base-Base interactions energy: -181.491
where: short stacking energy: -81.293
Base-Backbone interact. energy: -0.038
local terms energy: -98.564736
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -22.308
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -27.246
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: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -271.314370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.314370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.314370 (E_RNA)
where:
Base-Base interactions energy: -180.593
where: short stacking energy: -74.942
Base-Backbone interact. energy: -0.535
local terms energy: -90.186358
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -20.544
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -26.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -228.083057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.083057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.083057 (E_RNA)
where:
Base-Base interactions energy: -148.656
where: short stacking energy: -69.123
Base-Backbone interact. energy: -0.117
local terms energy: -79.309741
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -252.877304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.877304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.877304 (E_RNA)
where:
Base-Base interactions energy: -166.832
where: short stacking energy: -77.436
Base-Backbone interact. energy: -0.259
local terms energy: -85.786555
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -14.281
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: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -130.682436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.682436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.682436 (E_RNA)
where:
Base-Base interactions energy: -64.930
where: short stacking energy: -39.444
Base-Backbone interact. energy: -0.485
local terms energy: -65.267444
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -3.166
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: 419
Temperature: 1.250000
Total energy: -107.055220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.055220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.055220 (E_RNA)
where:
Base-Base interactions energy: -48.007
where: short stacking energy: -34.551
Base-Backbone interact. energy: -0.183
local terms energy: -58.865965
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -4.333
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: 2
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -99.265548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.265548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.265548 (E_RNA)
where:
Base-Base interactions energy: -42.057
where: short stacking energy: -28.088
Base-Backbone interact. energy: 1.430
local terms energy: -58.638825
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -8.283
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: 10, replica: 4
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -77.985872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.985872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.985872 (E_RNA)
where:
Base-Base interactions energy: -21.565
where: short stacking energy: -19.456
Base-Backbone interact. energy: -0.111
local terms energy: -56.310440
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -9.992
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: 1, replica: 10
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -291.537481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.537481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.537481 (E_RNA)
where:
Base-Base interactions energy: -196.980
where: short stacking energy: -83.951
Base-Backbone interact. energy: -0.067
local terms energy: -94.491081
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -23.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -276.496711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.496711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.496711 (E_RNA)
where:
Base-Base interactions energy: -182.932
where: short stacking energy: -89.390
Base-Backbone interact. energy: -0.590
local terms energy: -92.974299
where:
bonds (distance) C4'-P energy: -17.636
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -16.193
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: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -271.343442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.343442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.343442 (E_RNA)
where:
Base-Base interactions energy: -181.055
where: short stacking energy: -84.743
Base-Backbone interact. energy: -0.006
local terms energy: -90.282457
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -19.087
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -24.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -278.515776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.515776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.515776 (E_RNA)
where:
Base-Base interactions energy: -192.738
where: short stacking energy: -75.791
Base-Backbone interact. energy: -0.102
local terms energy: -85.675724
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -21.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -228.905891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.905891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.905891 (E_RNA)
where:
Base-Base interactions energy: -150.043
where: short stacking energy: -62.838
Base-Backbone interact. energy: -0.242
local terms energy: -78.620839
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -18.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -244.380788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.380788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.380788 (E_RNA)
where:
Base-Base interactions energy: -168.302
where: short stacking energy: -63.763
Base-Backbone interact. energy: 0.665
local terms energy: -76.743874
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -19.600
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -112.952326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.952326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.952326 (E_RNA)
where:
Base-Base interactions energy: -42.627
where: short stacking energy: -37.238
Base-Backbone interact. energy: 0.517
local terms energy: -70.842120
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -117.849991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.849991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.849991 (E_RNA)
where:
Base-Base interactions energy: -56.475
where: short stacking energy: -30.731
Base-Backbone interact. energy: -0.024
local terms energy: -61.351684
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -8.110
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: 9, replica: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -87.968679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.968679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.968679 (E_RNA)
where:
Base-Base interactions energy: -29.012
where: short stacking energy: -29.277
Base-Backbone interact. energy: -0.115
local terms energy: -58.841664
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -87.593730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.593730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.593730 (E_RNA)
where:
Base-Base interactions energy: -29.917
where: short stacking energy: -27.096
Base-Backbone interact. energy: -0.048
local terms energy: -57.628966
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -8.761
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -8.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -292.848866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.848866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.848866 (E_RNA)
where:
Base-Base interactions energy: -197.272
where: short stacking energy: -89.124
Base-Backbone interact. energy: -0.005
local terms energy: -95.572102
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -26.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -291.547501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.547501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.547501 (E_RNA)
where:
Base-Base interactions energy: -190.009
where: short stacking energy: -81.208
Base-Backbone interact. energy: -0.003
local terms energy: -101.535507
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -27.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -285.985387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.985387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.985387 (E_RNA)
where:
Base-Base interactions energy: -198.643
where: short stacking energy: -86.474
Base-Backbone interact. energy: -0.621
local terms energy: -86.720845
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -13.945
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: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -260.277197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.277197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.277197 (E_RNA)
where:
Base-Base interactions energy: -174.076
where: short stacking energy: -68.287
Base-Backbone interact. energy: -0.043
local terms energy: -86.157915
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -221.985176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.985176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.985176 (E_RNA)
where:
Base-Base interactions energy: -143.117
where: short stacking energy: -61.676
Base-Backbone interact. energy: -0.153
local terms energy: -78.714516
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -21.393
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -14.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -247.651058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.651058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.651058 (E_RNA)
where:
Base-Base interactions energy: -156.670
where: short stacking energy: -74.960
Base-Backbone interact. energy: -0.008
local terms energy: -90.972913
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -16.182
tors. eta vs tors. theta energy: -20.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -110.651012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.651012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.651012 (E_RNA)
where:
Base-Base interactions energy: -45.407
where: short stacking energy: -45.227
Base-Backbone interact. energy: -0.309
local terms energy: -64.935666
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -110.647820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.647820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.647820 (E_RNA)
where:
Base-Base interactions energy: -44.156
where: short stacking energy: -37.992
Base-Backbone interact. energy: -1.595
local terms energy: -64.896455
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -6.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -87.609610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.609610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.609610 (E_RNA)
where:
Base-Base interactions energy: -27.732
where: short stacking energy: -22.567
Base-Backbone interact. energy: -0.444
local terms energy: -59.433526
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -83.445995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.445995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.445995 (E_RNA)
where:
Base-Base interactions energy: -24.384
where: short stacking energy: -14.146
Base-Backbone interact. energy: -0.477
local terms energy: -58.585359
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -16.498
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: 1, replica: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -290.176349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.176349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.176349 (E_RNA)
where:
Base-Base interactions energy: -194.571
where: short stacking energy: -90.058
Base-Backbone interact. energy: -0.011
local terms energy: -95.594560
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -13.891
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: 2, replica: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -284.368876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.368876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.368876 (E_RNA)
where:
Base-Base interactions energy: -187.976
where: short stacking energy: -80.873
Base-Backbone interact. energy: -0.729
local terms energy: -95.664038
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -26.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -295.545601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.545601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.545601 (E_RNA)
where:
Base-Base interactions energy: -199.943
where: short stacking energy: -91.145
Base-Backbone interact. energy: -0.217
local terms energy: -95.385040
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -28.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -276.550516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.550516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.550516 (E_RNA)
where:
Base-Base interactions energy: -193.583
where: short stacking energy: -84.657
Base-Backbone interact. energy: 0.013
local terms energy: -82.980059
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -23.414
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: 5, replica: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -223.997457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.997457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.997457 (E_RNA)
where:
Base-Base interactions energy: -136.159
where: short stacking energy: -52.839
Base-Backbone interact. energy: -0.247
local terms energy: -87.590788
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -19.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -231.088749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.088749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.088749 (E_RNA)
where:
Base-Base interactions energy: -150.177
where: short stacking energy: -70.537
Base-Backbone interact. energy: -0.023
local terms energy: -80.888710
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -12.387
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: 7, replica: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -97.176212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.176212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.176212 (E_RNA)
where:
Base-Base interactions energy: -32.532
where: short stacking energy: -27.601
Base-Backbone interact. energy: -0.581
local terms energy: -64.063517
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -20.058
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: 1.139
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: 6
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -121.064957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.064957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.064957 (E_RNA)
where:
Base-Base interactions energy: -49.138
where: short stacking energy: -47.624
Base-Backbone interact. energy: -0.287
local terms energy: -71.639554
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -12.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -95.232140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.232140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.232140 (E_RNA)
where:
Base-Base interactions energy: -37.683
where: short stacking energy: -25.848
Base-Backbone interact. energy: -0.146
local terms energy: -57.403028
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -90.025688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.025688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.025688 (E_RNA)
where:
Base-Base interactions energy: -40.395
where: short stacking energy: -35.270
Base-Backbone interact. energy: -0.082
local terms energy: -49.548348
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: 0.103
tors. eta vs tors. theta energy: -1.720
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: 5
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -297.634077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.634077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.634077 (E_RNA)
where:
Base-Base interactions energy: -201.069
where: short stacking energy: -91.619
Base-Backbone interact. energy: -0.085
local terms energy: -96.480623
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -25.572
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: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -298.184234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.184234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.184234 (E_RNA)
where:
Base-Base interactions energy: -206.327
where: short stacking energy: -80.996
Base-Backbone interact. energy: -0.047
local terms energy: -91.810066
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -26.818
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: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -284.892133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.892133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.892133 (E_RNA)
where:
Base-Base interactions energy: -184.298
where: short stacking energy: -83.785
Base-Backbone interact. energy: -0.194
local terms energy: -100.399299
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -28.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -230.925094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.925094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.925094 (E_RNA)
where:
Base-Base interactions energy: -149.160
where: short stacking energy: -72.211
Base-Backbone interact. energy: -0.087
local terms energy: -81.678378
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -16.581
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: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -279.687563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.687563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.687563 (E_RNA)
where:
Base-Base interactions energy: -184.547
where: short stacking energy: -83.561
Base-Backbone interact. energy: -0.102
local terms energy: -95.037772
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -25.548
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: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -247.667522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.667522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.667522 (E_RNA)
where:
Base-Base interactions energy: -168.282
where: short stacking energy: -64.458
Base-Backbone interact. energy: -0.044
local terms energy: -79.341350
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -105.643585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.643585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.643585 (E_RNA)
where:
Base-Base interactions energy: -47.958
where: short stacking energy: -39.043
Base-Backbone interact. energy: -0.150
local terms energy: -57.535876
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -8.201
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: 423
Temperature: 1.250000
Total energy: -104.147139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.147139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.147139 (E_RNA)
where:
Base-Base interactions energy: -39.955
where: short stacking energy: -24.609
Base-Backbone interact. energy: -0.187
local terms energy: -64.004854
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -4.462
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: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -92.712818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.712818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.712818 (E_RNA)
where:
Base-Base interactions energy: -34.323
where: short stacking energy: -33.378
Base-Backbone interact. energy: -0.541
local terms energy: -57.848999
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -1.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -93.719665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.719665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.719665 (E_RNA)
where:
Base-Base interactions energy: -26.195
where: short stacking energy: -24.577
Base-Backbone interact. energy: -0.017
local terms energy: -67.506919
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -18.854
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -3.034
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: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -298.980293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.980293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.980293 (E_RNA)
where:
Base-Base interactions energy: -208.561
where: short stacking energy: -93.219
Base-Backbone interact. energy: -0.084
local terms energy: -90.335478
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -26.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -297.700553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.700553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.700553 (E_RNA)
where:
Base-Base interactions energy: -204.107
where: short stacking energy: -84.418
Base-Backbone interact. energy: -0.101
local terms energy: -93.492331
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -27.830
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: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -280.223706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.223706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.223706 (E_RNA)
where:
Base-Base interactions energy: -181.983
where: short stacking energy: -76.510
Base-Backbone interact. energy: -0.273
local terms energy: -97.967505
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -16.360
tors. eta vs tors. theta energy: -24.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -237.591372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.591372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.591372 (E_RNA)
where:
Base-Base interactions energy: -161.205
where: short stacking energy: -69.019
Base-Backbone interact. energy: -0.112
local terms energy: -76.274387
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -17.281
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: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -243.329487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.329487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.329487 (E_RNA)
where:
Base-Base interactions energy: -151.072
where: short stacking energy: -64.985
Base-Backbone interact. energy: -0.005
local terms energy: -92.252832
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -21.548
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: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -267.026101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.026101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.026101 (E_RNA)
where:
Base-Base interactions energy: -183.875
where: short stacking energy: -83.173
Base-Backbone interact. energy: -0.222
local terms energy: -82.929357
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -24.142
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: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -102.466223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.466223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.466223 (E_RNA)
where:
Base-Base interactions energy: -32.237
where: short stacking energy: -30.672
Base-Backbone interact. energy: -0.158
local terms energy: -70.071493
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -109.400571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.400571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.400571 (E_RNA)
where:
Base-Base interactions energy: -39.041
where: short stacking energy: -39.041
Base-Backbone interact. energy: -0.045
local terms energy: -70.314320
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -11.266
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: 2
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -100.104422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.104422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.104422 (E_RNA)
where:
Base-Base interactions energy: -38.952
where: short stacking energy: -35.840
Base-Backbone interact. energy: -0.531
local terms energy: -60.621891
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -11.218
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: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -85.020901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.020901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.020901 (E_RNA)
where:
Base-Base interactions energy: -27.018
where: short stacking energy: -25.520
Base-Backbone interact. energy: -0.182
local terms energy: -57.821252
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -301.005243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.005243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.005243 (E_RNA)
where:
Base-Base interactions energy: -201.821
where: short stacking energy: -83.294
Base-Backbone interact. energy: -0.342
local terms energy: -98.843047
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -28.351
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: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -298.479104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.479104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.479104 (E_RNA)
where:
Base-Base interactions energy: -204.527
where: short stacking energy: -85.772
Base-Backbone interact. energy: -0.080
local terms energy: -93.871813
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -25.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -271.122777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.122777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.122777 (E_RNA)
where:
Base-Base interactions energy: -180.430
where: short stacking energy: -79.210
Base-Backbone interact. energy: -0.060
local terms energy: -90.632522
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -25.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -258.213784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.213784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.213784 (E_RNA)
where:
Base-Base interactions energy: -181.157
where: short stacking energy: -65.006
Base-Backbone interact. energy: -0.102
local terms energy: -76.954882
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -19.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -240.807053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.807053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.807053 (E_RNA)
where:
Base-Base interactions energy: -164.893
where: short stacking energy: -66.222
Base-Backbone interact. energy: -0.236
local terms energy: -75.677725
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -253.683030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.683030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.683030 (E_RNA)
where:
Base-Base interactions energy: -166.939
where: short stacking energy: -75.940
Base-Backbone interact. energy: -0.628
local terms energy: -86.115523
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -109.591212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.591212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.591212 (E_RNA)
where:
Base-Base interactions energy: -43.664
where: short stacking energy: -38.593
Base-Backbone interact. energy: -0.143
local terms energy: -65.783915
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -110.591396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.591396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.591396 (E_RNA)
where:
Base-Base interactions energy: -57.163
where: short stacking energy: -36.382
Base-Backbone interact. energy: -0.648
local terms energy: -52.780085
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: 0.067
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: 9, replica: 2
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -95.325360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.325360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.325360 (E_RNA)
where:
Base-Base interactions energy: -38.048
where: short stacking energy: -32.462
Base-Backbone interact. energy: 0.479
local terms energy: -57.756232
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -2.099
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: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -99.303357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.303357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.303357 (E_RNA)
where:
Base-Base interactions energy: -37.351
where: short stacking energy: -37.351
Base-Backbone interact. energy: -0.064
local terms energy: -61.888351
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -7.700
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: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -295.335110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.335110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.335110 (E_RNA)
where:
Base-Base interactions energy: -203.430
where: short stacking energy: -86.247
Base-Backbone interact. energy: -0.101
local terms energy: -91.804508
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -19.921
flat angles P-C4'-P energy: -12.706
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: 2, replica: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -282.107042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.107042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.107042 (E_RNA)
where:
Base-Base interactions energy: -189.869
where: short stacking energy: -85.698
Base-Backbone interact. energy: -0.081
local terms energy: -92.157319
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -25.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -273.290091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.290091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.290091 (E_RNA)
where:
Base-Base interactions energy: -186.056
where: short stacking energy: -68.152
Base-Backbone interact. energy: 2.806
local terms energy: -90.040330
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -21.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -274.224802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.224802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.224802 (E_RNA)
where:
Base-Base interactions energy: -183.069
where: short stacking energy: -78.609
Base-Backbone interact. energy: -0.121
local terms energy: -91.034705
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -17.089
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: 5, replica: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -268.958064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.958064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.958064 (E_RNA)
where:
Base-Base interactions energy: -185.245
where: short stacking energy: -85.717
Base-Backbone interact. energy: -0.075
local terms energy: -83.638421
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -17.497
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -21.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -232.107481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.107481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.107481 (E_RNA)
where:
Base-Base interactions energy: -150.899
where: short stacking energy: -70.566
Base-Backbone interact. energy: -0.027
local terms energy: -81.181488
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -19.330
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -18.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -112.547655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.547655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.547655 (E_RNA)
where:
Base-Base interactions energy: -50.976
where: short stacking energy: -45.526
Base-Backbone interact. energy: -0.132
local terms energy: -61.439866
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -97.023620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.023620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.023620 (E_RNA)
where:
Base-Base interactions energy: -50.084
where: short stacking energy: -36.703
Base-Backbone interact. energy: -0.439
local terms energy: -46.500807
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: 6.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -82.315049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.315049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.315049 (E_RNA)
where:
Base-Base interactions energy: -26.773
where: short stacking energy: -21.757
Base-Backbone interact. energy: -0.521
local terms energy: -55.021062
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -6.793
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: 0.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -105.910092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.910092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.910092 (E_RNA)
where:
Base-Base interactions energy: -40.674
where: short stacking energy: -16.794
Base-Backbone interact. energy: -0.127
local terms energy: -65.108732
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: 0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -288.771806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.771806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.771806 (E_RNA)
where:
Base-Base interactions energy: -194.282
where: short stacking energy: -85.546
Base-Backbone interact. energy: -0.781
local terms energy: -93.709362
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -24.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -278.741513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.741513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.741513 (E_RNA)
where:
Base-Base interactions energy: -187.561
where: short stacking energy: -78.747
Base-Backbone interact. energy: 1.390
local terms energy: -92.570194
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -14.447
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: 3, replica: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -265.059265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.059265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.059265 (E_RNA)
where:
Base-Base interactions energy: -184.764
where: short stacking energy: -67.432
Base-Backbone interact. energy: -0.022
local terms energy: -80.273749
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -19.592
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: 10
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -274.534291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.534291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.534291 (E_RNA)
where:
Base-Base interactions energy: -183.958
where: short stacking energy: -75.745
Base-Backbone interact. energy: -0.299
local terms energy: -90.277195
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -24.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -273.030385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.030385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.030385 (E_RNA)
where:
Base-Base interactions energy: -178.284
where: short stacking energy: -90.109
Base-Backbone interact. energy: -0.493
local terms energy: -94.253137
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -28.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -240.868550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.868550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.868550 (E_RNA)
where:
Base-Base interactions energy: -161.330
where: short stacking energy: -67.789
Base-Backbone interact. energy: 1.386
local terms energy: -80.923933
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -14.969
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: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -103.048229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.048229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.048229 (E_RNA)
where:
Base-Base interactions energy: -45.908
where: short stacking energy: -44.495
Base-Backbone interact. energy: -0.217
local terms energy: -56.922915
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -1.377
tors. eta vs tors. theta energy: -10.779
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: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -111.580188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.580188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.580188 (E_RNA)
where:
Base-Base interactions energy: -46.550
where: short stacking energy: -38.217
Base-Backbone interact. energy: -0.208
local terms energy: -64.822345
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: 0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -84.531233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.531233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.531233 (E_RNA)
where:
Base-Base interactions energy: -20.759
where: short stacking energy: -13.418
Base-Backbone interact. energy: -0.828
local terms energy: -62.944178
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: 4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -94.216539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.216539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.216539 (E_RNA)
where:
Base-Base interactions energy: -30.658
where: short stacking energy: -20.058
Base-Backbone interact. energy: -0.200
local terms energy: -63.358541
where:
bonds (distance) C4'-P energy: -20.728
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -290.486993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.486993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.486993 (E_RNA)
where:
Base-Base interactions energy: -193.768
where: short stacking energy: -86.368
Base-Backbone interact. energy: 0.005
local terms energy: -96.723436
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -20.032
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -24.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -267.356282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.356282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.356282 (E_RNA)
where:
Base-Base interactions energy: -178.003
where: short stacking energy: -78.536
Base-Backbone interact. energy: -0.081
local terms energy: -89.271719
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -21.857
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: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -269.274038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.274038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.274038 (E_RNA)
where:
Base-Base interactions energy: -183.365
where: short stacking energy: -71.384
Base-Backbone interact. energy: 2.110
local terms energy: -88.018917
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -22.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -251.957441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.957441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.957441 (E_RNA)
where:
Base-Base interactions energy: -161.097
where: short stacking energy: -73.442
Base-Backbone interact. energy: -1.226
local terms energy: -89.633695
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -22.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -244.906911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.906911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.906911 (E_RNA)
where:
Base-Base interactions energy: -162.713
where: short stacking energy: -68.100
Base-Backbone interact. energy: -0.118
local terms energy: -82.076096
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -248.857528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.857528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.857528 (E_RNA)
where:
Base-Base interactions energy: -176.862
where: short stacking energy: -79.784
Base-Backbone interact. energy: -0.323
local terms energy: -71.672681
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -20.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -103.879488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.879488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.879488 (E_RNA)
where:
Base-Base interactions energy: -44.894
where: short stacking energy: -30.248
Base-Backbone interact. energy: -0.114
local terms energy: -58.871503
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: 2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -93.212354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.212354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.212354 (E_RNA)
where:
Base-Base interactions energy: -37.975
where: short stacking energy: -22.725
Base-Backbone interact. energy: -0.179
local terms energy: -55.058139
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: 2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -101.354675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.354675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.354675 (E_RNA)
where:
Base-Base interactions energy: -41.293
where: short stacking energy: -28.798
Base-Backbone interact. energy: 0.340
local terms energy: -60.400941
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -89.530328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.530328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.530328 (E_RNA)
where:
Base-Base interactions energy: -30.865
where: short stacking energy: -29.496
Base-Backbone interact. energy: -0.499
local terms energy: -58.166436
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -291.451514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.451514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.451514 (E_RNA)
where:
Base-Base interactions energy: -184.969
where: short stacking energy: -84.148
Base-Backbone interact. energy: -1.128
local terms energy: -105.354958
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -18.064
tors. eta vs tors. theta energy: -26.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -284.831334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.831334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.831334 (E_RNA)
where:
Base-Base interactions energy: -186.544
where: short stacking energy: -86.802
Base-Backbone interact. energy: -0.015
local terms energy: -98.271954
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -20.554
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -27.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -270.991335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.991335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.991335 (E_RNA)
where:
Base-Base interactions energy: -194.654
where: short stacking energy: -72.334
Base-Backbone interact. energy: -0.049
local terms energy: -76.288463
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -257.445756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.445756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.445756 (E_RNA)
where:
Base-Base interactions energy: -168.053
where: short stacking energy: -68.427
Base-Backbone interact. energy: 1.137
local terms energy: -90.529882
where:
bonds (distance) C4'-P energy: -16.990
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -257.135319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.135319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.135319 (E_RNA)
where:
Base-Base interactions energy: -183.662
where: short stacking energy: -76.476
Base-Backbone interact. energy: -0.403
local terms energy: -73.070328
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -21.060
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: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -248.745224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.745224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.745224 (E_RNA)
where:
Base-Base interactions energy: -165.696
where: short stacking energy: -62.156
Base-Backbone interact. energy: -0.108
local terms energy: -82.940941
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -24.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -112.755264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.755264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.755264 (E_RNA)
where:
Base-Base interactions energy: -56.592
where: short stacking energy: -33.915
Base-Backbone interact. energy: -1.488
local terms energy: -54.674765
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -3.816
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: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -101.291996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.291996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.291996 (E_RNA)
where:
Base-Base interactions energy: -40.268
where: short stacking energy: -33.039
Base-Backbone interact. energy: -0.124
local terms energy: -60.899339
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -91.381631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.381631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.381631 (E_RNA)
where:
Base-Base interactions energy: -28.917
where: short stacking energy: -28.917
Base-Backbone interact. energy: -0.224
local terms energy: -62.240580
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -3.067
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: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -99.958697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.958697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.958697 (E_RNA)
where:
Base-Base interactions energy: -35.748
where: short stacking energy: -32.893
Base-Backbone interact. energy: -0.640
local terms energy: -63.571538
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -8.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -289.960070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.960070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.960070 (E_RNA)
where:
Base-Base interactions energy: -189.797
where: short stacking energy: -88.467
Base-Backbone interact. energy: -0.004
local terms energy: -100.158418
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: -28.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -285.857236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.857236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.857236 (E_RNA)
where:
Base-Base interactions energy: -199.082
where: short stacking energy: -86.266
Base-Backbone interact. energy: -0.001
local terms energy: -86.774260
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -12.529
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: 3, replica: 10
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -287.493398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.493398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.493398 (E_RNA)
where:
Base-Base interactions energy: -184.793
where: short stacking energy: -83.497
Base-Backbone interact. energy: -0.299
local terms energy: -102.401096
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -21.026
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -29.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -254.062628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.062628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.062628 (E_RNA)
where:
Base-Base interactions energy: -172.807
where: short stacking energy: -62.594
Base-Backbone interact. energy: 0.819
local terms energy: -82.074123
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -19.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -252.515999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.515999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.515999 (E_RNA)
where:
Base-Base interactions energy: -162.903
where: short stacking energy: -73.134
Base-Backbone interact. energy: -0.093
local terms energy: -89.519869
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -23.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -244.509902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.509902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.509902 (E_RNA)
where:
Base-Base interactions energy: -169.575
where: short stacking energy: -69.590
Base-Backbone interact. energy: -0.183
local terms energy: -74.751860
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -19.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -103.543547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.543547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.543547 (E_RNA)
where:
Base-Base interactions energy: -41.852
where: short stacking energy: -26.576
Base-Backbone interact. energy: 0.575
local terms energy: -62.266610
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -95.918402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.918402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.918402 (E_RNA)
where:
Base-Base interactions energy: -37.211
where: short stacking energy: -33.805
Base-Backbone interact. energy: 0.963
local terms energy: -59.670580
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -101.337325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.337325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.337325 (E_RNA)
where:
Base-Base interactions energy: -41.891
where: short stacking energy: -35.775
Base-Backbone interact. energy: -0.216
local terms energy: -59.230268
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -4.843
tors. eta vs tors. theta energy: -4.943
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: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -85.895135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.895135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.895135 (E_RNA)
where:
Base-Base interactions energy: -35.534
where: short stacking energy: -21.329
Base-Backbone interact. energy: -0.275
local terms energy: -50.085679
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: 3.964
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: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -296.561528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.561528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.561528 (E_RNA)
where:
Base-Base interactions energy: -192.073
where: short stacking energy: -83.267
Base-Backbone interact. energy: -0.062
local terms energy: -104.426631
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -17.702
tors. eta vs tors. theta energy: -27.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -284.784892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.784892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.784892 (E_RNA)
where:
Base-Base interactions energy: -179.839
where: short stacking energy: -81.678
Base-Backbone interact. energy: -0.038
local terms energy: -104.907967
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -17.634
tors. eta vs tors. theta energy: -29.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -282.062867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.062867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.062867 (E_RNA)
where:
Base-Base interactions energy: -188.944
where: short stacking energy: -85.635
Base-Backbone interact. energy: -0.683
local terms energy: -92.436261
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -23.908
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: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -262.676197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.676197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.676197 (E_RNA)
where:
Base-Base interactions energy: -172.053
where: short stacking energy: -78.068
Base-Backbone interact. energy: -0.002
local terms energy: -90.621198
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -26.769
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: 5, replica: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -256.516144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.516144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.516144 (E_RNA)
where:
Base-Base interactions energy: -174.885
where: short stacking energy: -61.793
Base-Backbone interact. energy: -0.723
local terms energy: -80.908350
where:
bonds (distance) C4'-P energy: -19.463
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -22.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -264.960489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.960489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.960489 (E_RNA)
where:
Base-Base interactions energy: -179.236
where: short stacking energy: -79.407
Base-Backbone interact. energy: -0.068
local terms energy: -85.656351
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -22.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -99.913652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.913652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.913652 (E_RNA)
where:
Base-Base interactions energy: -43.001
where: short stacking energy: -41.559
Base-Backbone interact. energy: -0.210
local terms energy: -56.702552
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -18.814
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -4.102
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: -95.439876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.439876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.439876 (E_RNA)
where:
Base-Base interactions energy: -34.679
where: short stacking energy: -34.544
Base-Backbone interact. energy: 1.254
local terms energy: -62.014849
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -91.574998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.574998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.574998 (E_RNA)
where:
Base-Base interactions energy: -38.309
where: short stacking energy: -34.200
Base-Backbone interact. energy: -0.241
local terms energy: -53.025528
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -8.959
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -6.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -93.346393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.346393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.346393 (E_RNA)
where:
Base-Base interactions energy: -30.067
where: short stacking energy: -26.675
Base-Backbone interact. energy: -0.246
local terms energy: -63.033091
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: 1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -282.193801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.193801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.193801 (E_RNA)
where:
Base-Base interactions energy: -184.326
where: short stacking energy: -87.533
Base-Backbone interact. energy: -0.063
local terms energy: -97.804156
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -26.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -283.503979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.503979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.503979 (E_RNA)
where:
Base-Base interactions energy: -192.603
where: short stacking energy: -81.556
Base-Backbone interact. energy: -0.008
local terms energy: -90.893240
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -23.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -281.206081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.206081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.206081 (E_RNA)
where:
Base-Base interactions energy: -189.234
where: short stacking energy: -77.426
Base-Backbone interact. energy: -0.095
local terms energy: -91.877226
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -20.773
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -16.497
tors. eta vs tors. theta energy: -22.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -268.806677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.806677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.806677 (E_RNA)
where:
Base-Base interactions energy: -174.558
where: short stacking energy: -77.648
Base-Backbone interact. energy: -0.351
local terms energy: -93.897631
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -15.508
tors. eta vs tors. theta energy: -27.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -262.357657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.357657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.357657 (E_RNA)
where:
Base-Base interactions energy: -180.969
where: short stacking energy: -77.134
Base-Backbone interact. energy: -0.083
local terms energy: -81.306253
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -24.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -240.402835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.402835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.402835 (E_RNA)
where:
Base-Base interactions energy: -166.493
where: short stacking energy: -62.035
Base-Backbone interact. energy: -0.192
local terms energy: -73.718522
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -14.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -100.091755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.091755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.091755 (E_RNA)
where:
Base-Base interactions energy: -41.480
where: short stacking energy: -26.636
Base-Backbone interact. energy: -0.356
local terms energy: -58.256133
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -12.474
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: 8, replica: 2
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -94.585879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.585879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.585879 (E_RNA)
where:
Base-Base interactions energy: -35.746
where: short stacking energy: -30.680
Base-Backbone interact. energy: -0.167
local terms energy: -58.672454
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -10.577
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: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -94.388304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.388304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.388304 (E_RNA)
where:
Base-Base interactions energy: -23.464
where: short stacking energy: -22.724
Base-Backbone interact. energy: -0.131
local terms energy: -70.793284
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -88.441040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.441040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.441040 (E_RNA)
where:
Base-Base interactions energy: -36.714
where: short stacking energy: -21.685
Base-Backbone interact. energy: -0.252
local terms energy: -51.475666
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -287.727259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.727259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.727259 (E_RNA)
where:
Base-Base interactions energy: -190.330
where: short stacking energy: -75.183
Base-Backbone interact. energy: -0.125
local terms energy: -97.271931
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -26.297
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: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -283.542996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.542996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.542996 (E_RNA)
where:
Base-Base interactions energy: -191.326
where: short stacking energy: -83.428
Base-Backbone interact. energy: -0.009
local terms energy: -92.207722
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -18.216
tors. eta vs tors. theta energy: -24.813
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: 5
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -296.539902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.539902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.539902 (E_RNA)
where:
Base-Base interactions energy: -202.736
where: short stacking energy: -78.183
Base-Backbone interact. energy: -0.071
local terms energy: -93.732913
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -20.164
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -23.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -281.196744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.196744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.196744 (E_RNA)
where:
Base-Base interactions energy: -190.615
where: short stacking energy: -82.847
Base-Backbone interact. energy: -0.094
local terms energy: -90.488360
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -26.114
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: 433
Temperature: 1.100000
Total energy: -253.472588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.472588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.472588 (E_RNA)
where:
Base-Base interactions energy: -163.941
where: short stacking energy: -73.636
Base-Backbone interact. energy: -0.068
local terms energy: -89.463729
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -19.956
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -24.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -223.323737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.323737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.323737 (E_RNA)
where:
Base-Base interactions energy: -147.104
where: short stacking energy: -67.263
Base-Backbone interact. energy: -0.069
local terms energy: -76.150697
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -16.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -123.998412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.998412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.998412 (E_RNA)
where:
Base-Base interactions energy: -61.008
where: short stacking energy: -40.717
Base-Backbone interact. energy: -0.134
local terms energy: -62.856379
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -8.486
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: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -113.735596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.735596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.735596 (E_RNA)
where:
Base-Base interactions energy: -39.667
where: short stacking energy: -39.667
Base-Backbone interact. energy: -0.159
local terms energy: -73.909151
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -6.356
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: 2
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -99.127248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.127248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.127248 (E_RNA)
where:
Base-Base interactions energy: -35.434
where: short stacking energy: -24.732
Base-Backbone interact. energy: -0.151
local terms energy: -63.542471
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -17.391
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -94.181144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.181144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.181144 (E_RNA)
where:
Base-Base interactions energy: -36.903
where: short stacking energy: -14.821
Base-Backbone interact. energy: -0.263
local terms energy: -57.014943
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: 1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -288.054231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.054231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.054231 (E_RNA)
where:
Base-Base interactions energy: -192.202
where: short stacking energy: -86.839
Base-Backbone interact. energy: 0.440
local terms energy: -96.292490
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -25.622
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: 2, replica: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -284.575871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.575871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.575871 (E_RNA)
where:
Base-Base interactions energy: -197.885
where: short stacking energy: -80.262
Base-Backbone interact. energy: 1.843
local terms energy: -88.533274
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -21.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -288.362462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.362462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.362462 (E_RNA)
where:
Base-Base interactions energy: -197.069
where: short stacking energy: -87.344
Base-Backbone interact. energy: -0.037
local terms energy: -91.256371
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -28.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -285.255817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.255817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.255817 (E_RNA)
where:
Base-Base interactions energy: -194.003
where: short stacking energy: -93.952
Base-Backbone interact. energy: -0.006
local terms energy: -91.246862
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -24.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -251.315578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.315578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.315578 (E_RNA)
where:
Base-Base interactions energy: -174.865
where: short stacking energy: -77.035
Base-Backbone interact. energy: -0.684
local terms energy: -75.766966
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -19.777
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: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -216.742646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.742646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.742646 (E_RNA)
where:
Base-Base interactions energy: -140.004
where: short stacking energy: -61.294
Base-Backbone interact. energy: 2.133
local terms energy: -78.872237
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -16.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -106.782866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.782866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.782866 (E_RNA)
where:
Base-Base interactions energy: -38.825
where: short stacking energy: -38.237
Base-Backbone interact. energy: -0.126
local terms energy: -67.832188
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -102.174428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.174428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.174428 (E_RNA)
where:
Base-Base interactions energy: -41.078
where: short stacking energy: -40.062
Base-Backbone interact. energy: -0.244
local terms energy: -60.852893
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -7.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -100.219107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.219107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.219107 (E_RNA)
where:
Base-Base interactions energy: -39.922
where: short stacking energy: -27.237
Base-Backbone interact. energy: -0.825
local terms energy: -59.472537
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -94.881209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.881209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.881209 (E_RNA)
where:
Base-Base interactions energy: -46.912
where: short stacking energy: -23.604
Base-Backbone interact. energy: -0.305
local terms energy: -47.664058
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: 0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -288.997985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.997985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.997985 (E_RNA)
where:
Base-Base interactions energy: -202.635
where: short stacking energy: -79.987
Base-Backbone interact. energy: -0.100
local terms energy: -86.263485
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -23.471
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: 2, replica: 3
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -293.350564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.350564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.350564 (E_RNA)
where:
Base-Base interactions energy: -193.658
where: short stacking energy: -86.481
Base-Backbone interact. energy: -0.000
local terms energy: -99.692068
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -28.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -279.426118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.426118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.426118 (E_RNA)
where:
Base-Base interactions energy: -187.452
where: short stacking energy: -85.366
Base-Backbone interact. energy: -0.842
local terms energy: -91.131856
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -24.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -270.024946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.024946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.024946 (E_RNA)
where:
Base-Base interactions energy: -176.732
where: short stacking energy: -86.394
Base-Backbone interact. energy: -0.610
local terms energy: -92.682400
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -24.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -273.942002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.942002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.942002 (E_RNA)
where:
Base-Base interactions energy: -180.213
where: short stacking energy: -75.312
Base-Backbone interact. energy: -0.057
local terms energy: -93.671962
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -23.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -213.832464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.832464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.832464 (E_RNA)
where:
Base-Base interactions energy: -134.460
where: short stacking energy: -60.952
Base-Backbone interact. energy: -0.715
local terms energy: -78.657077
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -13.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -105.857141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.857141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.857141 (E_RNA)
where:
Base-Base interactions energy: -46.248
where: short stacking energy: -45.687
Base-Backbone interact. energy: -0.196
local terms energy: -59.412607
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -6.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -97.134281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.134281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.134281 (E_RNA)
where:
Base-Base interactions energy: -22.967
where: short stacking energy: -22.967
Base-Backbone interact. energy: -0.033
local terms energy: -74.134435
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -9.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -91.408069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.408069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.408069 (E_RNA)
where:
Base-Base interactions energy: -29.665
where: short stacking energy: -20.113
Base-Backbone interact. energy: -1.520
local terms energy: -60.223390
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -99.953187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.953187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.953187 (E_RNA)
where:
Base-Base interactions energy: -38.671
where: short stacking energy: -21.741
Base-Backbone interact. energy: -0.138
local terms energy: -61.144312
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -2.621
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: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -290.580379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.580379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.580379 (E_RNA)
where:
Base-Base interactions energy: -196.196
where: short stacking energy: -89.632
Base-Backbone interact. energy: -0.098
local terms energy: -94.286581
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -12.847
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: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -292.442001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.442001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.442001 (E_RNA)
where:
Base-Base interactions energy: -199.605
where: short stacking energy: -85.851
Base-Backbone interact. energy: -0.068
local terms energy: -92.768319
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -26.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -280.708189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.708189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.708189 (E_RNA)
where:
Base-Base interactions energy: -181.710
where: short stacking energy: -87.547
Base-Backbone interact. energy: -0.084
local terms energy: -98.913805
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -27.306
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: 7
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -260.503039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.503039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.503039 (E_RNA)
where:
Base-Base interactions energy: -176.988
where: short stacking energy: -75.148
Base-Backbone interact. energy: -0.204
local terms energy: -83.311596
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -20.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -282.892140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.892140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.892140 (E_RNA)
where:
Base-Base interactions energy: -197.904
where: short stacking energy: -79.658
Base-Backbone interact. energy: -0.006
local terms energy: -84.982811
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -8.139
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: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -214.136375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.136375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.136375 (E_RNA)
where:
Base-Base interactions energy: -136.610
where: short stacking energy: -52.446
Base-Backbone interact. energy: -0.896
local terms energy: -76.630453
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -10.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -99.339980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.339980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.339980 (E_RNA)
where:
Base-Base interactions energy: -29.489
where: short stacking energy: -29.489
Base-Backbone interact. energy: -0.371
local terms energy: -69.479950
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -18.761
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -0.646
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: 9
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -139.571538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.571538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.571538 (E_RNA)
where:
Base-Base interactions energy: -80.131
where: short stacking energy: -55.558
Base-Backbone interact. energy: -0.292
local terms energy: -59.148667
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -92.508873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.508873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.508873 (E_RNA)
where:
Base-Base interactions energy: -31.191
where: short stacking energy: -22.656
Base-Backbone interact. energy: -0.118
local terms energy: -61.199897
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -1.234
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: 4
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -83.041872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.041872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.041872 (E_RNA)
where:
Base-Base interactions energy: -21.136
where: short stacking energy: -20.792
Base-Backbone interact. energy: -0.366
local terms energy: -61.540235
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: 4.420
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: 437
Temperature: 0.900000
Total energy: -290.981933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.981933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.981933 (E_RNA)
where:
Base-Base interactions energy: -188.858
where: short stacking energy: -86.873
Base-Backbone interact. energy: -0.080
local terms energy: -102.043904
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -22.067
flat angles P-C4'-P energy: -15.619
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: 2, replica: 10
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -285.979988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.979988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.979988 (E_RNA)
where:
Base-Base interactions energy: -198.764
where: short stacking energy: -78.636
Base-Backbone interact. energy: -0.094
local terms energy: -87.121892
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -22.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -287.164706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.164706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.164706 (E_RNA)
where:
Base-Base interactions energy: -197.871
where: short stacking energy: -84.340
Base-Backbone interact. energy: -0.007
local terms energy: -89.286761
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -26.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -268.001561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.001561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.001561 (E_RNA)
where:
Base-Base interactions energy: -178.145
where: short stacking energy: -74.615
Base-Backbone interact. energy: 0.395
local terms energy: -90.251587
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -23.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -268.744007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.744007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.744007 (E_RNA)
where:
Base-Base interactions energy: -174.411
where: short stacking energy: -80.626
Base-Backbone interact. energy: -0.240
local terms energy: -94.093195
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -25.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -209.647261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.647261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.647261 (E_RNA)
where:
Base-Base interactions energy: -133.366
where: short stacking energy: -54.713
Base-Backbone interact. energy: -1.275
local terms energy: -75.006501
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -14.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -97.157645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.157645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.157645 (E_RNA)
where:
Base-Base interactions energy: -34.121
where: short stacking energy: -34.121
Base-Backbone interact. energy: -0.178
local terms energy: -62.859352
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -9.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -114.152227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.152227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.152227 (E_RNA)
where:
Base-Base interactions energy: -38.358
where: short stacking energy: -28.780
Base-Backbone interact. energy: 0.492
local terms energy: -76.286698
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -8.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -96.250942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.250942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.250942 (E_RNA)
where:
Base-Base interactions energy: -45.446
where: short stacking energy: -21.686
Base-Backbone interact. energy: 0.419
local terms energy: -51.223836
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: 0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -83.720014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.720014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.720014 (E_RNA)
where:
Base-Base interactions energy: -30.318
where: short stacking energy: -13.048
Base-Backbone interact. energy: -0.005
local terms energy: -53.396814
where:
bonds (distance) C4'-P energy: -9.857
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -291.110411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.110411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.110411 (E_RNA)
where:
Base-Base interactions energy: -202.751
where: short stacking energy: -82.387
Base-Backbone interact. energy: -0.608
local terms energy: -87.751933
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -22.860
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: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -281.234007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.234007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.234007 (E_RNA)
where:
Base-Base interactions energy: -177.341
where: short stacking energy: -85.141
Base-Backbone interact. energy: -0.037
local terms energy: -103.856364
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -15.576
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: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -290.320292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.320292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.320292 (E_RNA)
where:
Base-Base interactions energy: -195.115
where: short stacking energy: -86.164
Base-Backbone interact. energy: -0.185
local terms energy: -95.020138
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -23.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -277.766756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.766756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.766756 (E_RNA)
where:
Base-Base interactions energy: -190.591
where: short stacking energy: -84.376
Base-Backbone interact. energy: -0.002
local terms energy: -87.173803
where:
bonds (distance) C4'-P energy: -20.812
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -20.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -266.125784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.125784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.125784 (E_RNA)
where:
Base-Base interactions energy: -177.241
where: short stacking energy: -72.590
Base-Backbone interact. energy: -0.064
local terms energy: -88.820750
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -24.339
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: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -215.705643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.705643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.705643 (E_RNA)
where:
Base-Base interactions energy: -144.443
where: short stacking energy: -70.614
Base-Backbone interact. energy: -0.427
local terms energy: -70.836199
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -13.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -126.673403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.673403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.673403 (E_RNA)
where:
Base-Base interactions energy: -57.002
where: short stacking energy: -51.196
Base-Backbone interact. energy: -0.270
local terms energy: -69.400598
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -13.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -98.744701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.744701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.744701 (E_RNA)
where:
Base-Base interactions energy: -42.003
where: short stacking energy: -29.842
Base-Backbone interact. energy: 0.977
local terms energy: -57.719068
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -2.090
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: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -128.879975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.879975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.879975 (E_RNA)
where:
Base-Base interactions energy: -64.543
where: short stacking energy: -33.062
Base-Backbone interact. energy: -0.178
local terms energy: -64.158067
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -98.047156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.047156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.047156 (E_RNA)
where:
Base-Base interactions energy: -30.997
where: short stacking energy: -30.136
Base-Backbone interact. energy: -0.591
local terms energy: -66.458932
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -3.932
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: 1, replica: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -289.407524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.407524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.407524 (E_RNA)
where:
Base-Base interactions energy: -199.645
where: short stacking energy: -76.887
Base-Backbone interact. energy: -0.112
local terms energy: -89.650376
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -21.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -285.355523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.355523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.355523 (E_RNA)
where:
Base-Base interactions energy: -191.994
where: short stacking energy: -90.105
Base-Backbone interact. energy: -0.020
local terms energy: -93.341680
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -22.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -281.730519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.730519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.730519 (E_RNA)
where:
Base-Base interactions energy: -194.113
where: short stacking energy: -88.890
Base-Backbone interact. energy: -0.240
local terms energy: -87.377655
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -22.278
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: 4, replica: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -281.882415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.882415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.882415 (E_RNA)
where:
Base-Base interactions energy: -193.324
where: short stacking energy: -82.306
Base-Backbone interact. energy: -0.111
local terms energy: -88.447562
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -22.936
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: 5, replica: 7
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -279.427393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.427393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.427393 (E_RNA)
where:
Base-Base interactions energy: -184.747
where: short stacking energy: -88.223
Base-Backbone interact. energy: -0.113
local terms energy: -94.567201
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -15.450
tors. eta vs tors. theta energy: -25.374
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: 6, replica: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -200.239004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.239004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.239004 (E_RNA)
where:
Base-Base interactions energy: -130.017
where: short stacking energy: -55.913
Base-Backbone interact. energy: 0.877
local terms energy: -71.099045
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -13.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -112.445188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.445188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.445188 (E_RNA)
where:
Base-Base interactions energy: -39.673
where: short stacking energy: -39.673
Base-Backbone interact. energy: -0.037
local terms energy: -72.735571
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -10.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -113.905853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.905853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.905853 (E_RNA)
where:
Base-Base interactions energy: -53.863
where: short stacking energy: -45.353
Base-Backbone interact. energy: 0.148
local terms energy: -60.191413
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -7.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -102.149090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.149090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.149090 (E_RNA)
where:
Base-Base interactions energy: -41.681
where: short stacking energy: -39.424
Base-Backbone interact. energy: -0.390
local terms energy: -60.078020
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -7.771
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: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -89.022731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.022731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.022731 (E_RNA)
where:
Base-Base interactions energy: -33.342
where: short stacking energy: -28.082
Base-Backbone interact. energy: 0.137
local terms energy: -55.817798
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: 4.360
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: 10
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -280.896179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.896179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.896179 (E_RNA)
where:
Base-Base interactions energy: -191.569
where: short stacking energy: -79.148
Base-Backbone interact. energy: -0.012
local terms energy: -89.314944
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -22.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -288.577192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.577192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.577192 (E_RNA)
where:
Base-Base interactions energy: -198.267
where: short stacking energy: -85.783
Base-Backbone interact. energy: -0.022
local terms energy: -90.288898
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -26.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -283.394627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.394627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.394627 (E_RNA)
where:
Base-Base interactions energy: -188.832
where: short stacking energy: -80.065
Base-Backbone interact. energy: -0.045
local terms energy: -94.517087
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -24.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -278.294648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.294648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.294648 (E_RNA)
where:
Base-Base interactions energy: -186.991
where: short stacking energy: -76.577
Base-Backbone interact. energy: -0.131
local terms energy: -91.172121
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -23.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -260.962326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.962326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.962326 (E_RNA)
where:
Base-Base interactions energy: -168.885
where: short stacking energy: -78.927
Base-Backbone interact. energy: -0.721
local terms energy: -91.356260
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -9.278
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: 6, replica: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -215.582810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.582810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.582810 (E_RNA)
where:
Base-Base interactions energy: -135.755
where: short stacking energy: -59.155
Base-Backbone interact. energy: -0.318
local terms energy: -79.509305
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -107.280312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.280312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.280312 (E_RNA)
where:
Base-Base interactions energy: -42.017
where: short stacking energy: -34.931
Base-Backbone interact. energy: 0.339
local terms energy: -65.602513
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -1.814
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: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -105.875762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.875762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.875762 (E_RNA)
where:
Base-Base interactions energy: -41.307
where: short stacking energy: -33.634
Base-Backbone interact. energy: -0.154
local terms energy: -64.415070
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -97.376534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.376534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.376534 (E_RNA)
where:
Base-Base interactions energy: -31.546
where: short stacking energy: -31.546
Base-Backbone interact. energy: -0.086
local terms energy: -65.744584
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -4.996
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: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -95.525042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.525042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.525042 (E_RNA)
where:
Base-Base interactions energy: -40.724
where: short stacking energy: -29.826
Base-Backbone interact. energy: -0.248
local terms energy: -54.553218
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: 1.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -290.333395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.333395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.333395 (E_RNA)
where:
Base-Base interactions energy: -206.822
where: short stacking energy: -87.873
Base-Backbone interact. energy: 0.259
local terms energy: -83.770703
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -289.801622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.801622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.801622 (E_RNA)
where:
Base-Base interactions energy: -201.260
where: short stacking energy: -93.502
Base-Backbone interact. energy: -0.161
local terms energy: -88.381032
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -26.600
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: 3, replica: 5
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -273.696585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.696585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.696585 (E_RNA)
where:
Base-Base interactions energy: -186.106
where: short stacking energy: -86.566
Base-Backbone interact. energy: -0.057
local terms energy: -87.533585
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -22.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -268.117155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.117155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.117155 (E_RNA)
where:
Base-Base interactions energy: -171.875
where: short stacking energy: -74.069
Base-Backbone interact. energy: -0.078
local terms energy: -96.164641
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -22.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -268.790259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.790259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.790259 (E_RNA)
where:
Base-Base interactions energy: -180.382
where: short stacking energy: -82.396
Base-Backbone interact. energy: -0.438
local terms energy: -87.969916
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -24.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -208.489071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.489071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.489071 (E_RNA)
where:
Base-Base interactions energy: -134.804
where: short stacking energy: -52.734
Base-Backbone interact. energy: -0.155
local terms energy: -73.529486
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -11.630
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: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -106.755111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.755111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.755111 (E_RNA)
where:
Base-Base interactions energy: -59.910
where: short stacking energy: -34.155
Base-Backbone interact. energy: 2.674
local terms energy: -49.519256
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -3.269
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: 441
Temperature: 1.250000
Total energy: -99.274750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.274750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.274750 (E_RNA)
where:
Base-Base interactions energy: -37.729
where: short stacking energy: -35.653
Base-Backbone interact. energy: 1.593
local terms energy: -63.138595
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -1.008
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: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -94.840162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.840162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.840162 (E_RNA)
where:
Base-Base interactions energy: -37.790
where: short stacking energy: -32.897
Base-Backbone interact. energy: -0.107
local terms energy: -56.943080
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -1.212
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: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -93.482777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.482777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.482777 (E_RNA)
where:
Base-Base interactions energy: -39.279
where: short stacking energy: -21.696
Base-Backbone interact. energy: -0.314
local terms energy: -53.889320
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -1.766
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: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -300.225236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.225236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.225236 (E_RNA)
where:
Base-Base interactions energy: -208.619
where: short stacking energy: -87.124
Base-Backbone interact. energy: -0.079
local terms energy: -91.527126
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -24.294
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: 10
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -291.534518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.534518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.534518 (E_RNA)
where:
Base-Base interactions energy: -199.206
where: short stacking energy: -82.028
Base-Backbone interact. energy: -0.135
local terms energy: -92.193746
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -23.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -275.994278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.994278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.994278 (E_RNA)
where:
Base-Base interactions energy: -178.249
where: short stacking energy: -81.740
Base-Backbone interact. energy: -0.120
local terms energy: -97.625016
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -23.613
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: 4, replica: 5
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -272.042904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.042904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.042904 (E_RNA)
where:
Base-Base interactions energy: -184.164
where: short stacking energy: -80.620
Base-Backbone interact. energy: -0.023
local terms energy: -87.855477
where:
bonds (distance) C4'-P energy: -19.313
bonds (distance) P-C4' energy: -20.488
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -24.500
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: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -236.737586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.737586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.737586 (E_RNA)
where:
Base-Base interactions energy: -153.191
where: short stacking energy: -67.690
Base-Backbone interact. energy: -0.581
local terms energy: -82.965052
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -21.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -256.135214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.135214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.135214 (E_RNA)
where:
Base-Base interactions energy: -174.093
where: short stacking energy: -81.495
Base-Backbone interact. energy: -0.022
local terms energy: -82.019687
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -19.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -144.305337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.305337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.305337 (E_RNA)
where:
Base-Base interactions energy: -85.182
where: short stacking energy: -39.165
Base-Backbone interact. energy: 2.334
local terms energy: -61.456642
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -5.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -106.635406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.635406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.635406 (E_RNA)
where:
Base-Base interactions energy: -44.086
where: short stacking energy: -26.797
Base-Backbone interact. energy: -0.364
local terms energy: -62.185581
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -103.721046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.721046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.721046 (E_RNA)
where:
Base-Base interactions energy: -42.950
where: short stacking energy: -41.420
Base-Backbone interact. energy: 2.719
local terms energy: -63.489567
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -8.954
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -12.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -88.802917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.802917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.802917 (E_RNA)
where:
Base-Base interactions energy: -34.777
where: short stacking energy: -33.548
Base-Backbone interact. energy: -0.081
local terms energy: -53.944925
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -0.780
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: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -296.410384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.410384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.410384 (E_RNA)
where:
Base-Base interactions energy: -201.296
where: short stacking energy: -85.488
Base-Backbone interact. energy: 0.481
local terms energy: -95.595360
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -24.136
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: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -292.818086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.818086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.818086 (E_RNA)
where:
Base-Base interactions energy: -200.089
where: short stacking energy: -86.502
Base-Backbone interact. energy: -0.108
local terms energy: -92.621015
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -25.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -271.978112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.978112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.978112 (E_RNA)
where:
Base-Base interactions energy: -172.685
where: short stacking energy: -75.202
Base-Backbone interact. energy: -0.156
local terms energy: -99.137247
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -20.330
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -25.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -261.981472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.981472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.981472 (E_RNA)
where:
Base-Base interactions energy: -182.089
where: short stacking energy: -80.751
Base-Backbone interact. energy: -0.076
local terms energy: -79.816395
where:
bonds (distance) C4'-P energy: -7.843
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -233.246561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.246561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.246561 (E_RNA)
where:
Base-Base interactions energy: -151.228
where: short stacking energy: -77.194
Base-Backbone interact. energy: 1.778
local terms energy: -83.796066
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -20.151
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -18.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -249.997261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.997261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.997261 (E_RNA)
where:
Base-Base interactions energy: -171.227
where: short stacking energy: -77.520
Base-Backbone interact. energy: -0.086
local terms energy: -78.684642
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -121.207027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.207027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.207027 (E_RNA)
where:
Base-Base interactions energy: -58.736
where: short stacking energy: -40.202
Base-Backbone interact. energy: -0.093
local terms energy: -62.377635
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -5.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -98.626439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.626439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.626439 (E_RNA)
where:
Base-Base interactions energy: -42.361
where: short stacking energy: -32.669
Base-Backbone interact. energy: -0.200
local terms energy: -56.065059
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -2.780
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: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -96.154044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.154044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.154044 (E_RNA)
where:
Base-Base interactions energy: -34.500
where: short stacking energy: -27.739
Base-Backbone interact. energy: 0.737
local terms energy: -62.391498
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -5.110
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: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -94.161864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.161864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.161864 (E_RNA)
where:
Base-Base interactions energy: -46.142
where: short stacking energy: -24.290
Base-Backbone interact. energy: -0.304
local terms energy: -47.716627
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -4.161
tors. eta vs tors. theta energy: 3.254
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: 1, replica: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -295.867563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.867563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.867563 (E_RNA)
where:
Base-Base interactions energy: -201.433
where: short stacking energy: -79.612
Base-Backbone interact. energy: -0.216
local terms energy: -94.219090
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -25.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -290.812508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.812508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.812508 (E_RNA)
where:
Base-Base interactions energy: -203.013
where: short stacking energy: -81.326
Base-Backbone interact. energy: -0.005
local terms energy: -87.794750
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -27.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -264.147717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.147717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.147717 (E_RNA)
where:
Base-Base interactions energy: -169.781
where: short stacking energy: -67.883
Base-Backbone interact. energy: 2.465
local terms energy: -96.831028
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -22.607
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -19.188
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: 7
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -292.648809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.648809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.648809 (E_RNA)
where:
Base-Base interactions energy: -197.405
where: short stacking energy: -81.501
Base-Backbone interact. energy: -0.065
local terms energy: -95.178572
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -25.396
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: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -267.041474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.041474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.041474 (E_RNA)
where:
Base-Base interactions energy: -175.706
where: short stacking energy: -81.828
Base-Backbone interact. energy: -0.070
local terms energy: -91.265713
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -25.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -216.171089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.171089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.171089 (E_RNA)
where:
Base-Base interactions energy: -136.724
where: short stacking energy: -63.811
Base-Backbone interact. energy: -0.202
local terms energy: -79.245178
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -17.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -110.095375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.095375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.095375 (E_RNA)
where:
Base-Base interactions energy: -48.369
where: short stacking energy: -48.369
Base-Backbone interact. energy: -0.144
local terms energy: -61.582947
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -11.297
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: 2
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -112.075176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.075176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.075176 (E_RNA)
where:
Base-Base interactions energy: -58.381
where: short stacking energy: -36.813
Base-Backbone interact. energy: 1.628
local terms energy: -55.322536
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -6.262
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: 9, replica: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -97.371881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.371881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.371881 (E_RNA)
where:
Base-Base interactions energy: -44.677
where: short stacking energy: -25.022
Base-Backbone interact. energy: -0.537
local terms energy: -52.158389
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: 6.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -83.593770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.593770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.593770 (E_RNA)
where:
Base-Base interactions energy: -28.742
where: short stacking energy: -28.742
Base-Backbone interact. energy: -0.290
local terms energy: -54.561765
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -0.032
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: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -293.135214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.135214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.135214 (E_RNA)
where:
Base-Base interactions energy: -202.878
where: short stacking energy: -86.456
Base-Backbone interact. energy: -0.178
local terms energy: -90.079033
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -25.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -292.917626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.917626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.917626 (E_RNA)
where:
Base-Base interactions energy: -198.555
where: short stacking energy: -82.848
Base-Backbone interact. energy: -0.427
local terms energy: -93.935537
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -23.743
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -23.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -273.268267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.268267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.268267 (E_RNA)
where:
Base-Base interactions energy: -187.542
where: short stacking energy: -73.029
Base-Backbone interact. energy: -0.226
local terms energy: -85.499728
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -16.425
tors. eta vs tors. theta energy: -17.884
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: 7
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -281.810642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.810642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.810642 (E_RNA)
where:
Base-Base interactions energy: -189.556
where: short stacking energy: -82.205
Base-Backbone interact. energy: -0.105
local terms energy: -92.148701
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -25.435
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: 5, replica: 3
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -260.528004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.528004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.528004 (E_RNA)
where:
Base-Base interactions energy: -180.691
where: short stacking energy: -82.069
Base-Backbone interact. energy: -0.101
local terms energy: -79.735874
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -6.935
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: -19.978
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: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -205.664033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.664033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.664033 (E_RNA)
where:
Base-Base interactions energy: -125.891
where: short stacking energy: -55.860
Base-Backbone interact. energy: -0.827
local terms energy: -78.945164
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -12.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -135.846705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.846705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.846705 (E_RNA)
where:
Base-Base interactions energy: -74.254
where: short stacking energy: -40.282
Base-Backbone interact. energy: -0.206
local terms energy: -61.386710
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -20.134
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -4.281
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: 2
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -102.801196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.801196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.801196 (E_RNA)
where:
Base-Base interactions energy: -49.487
where: short stacking energy: -29.397
Base-Backbone interact. energy: 0.793
local terms energy: -54.107553
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: 1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -88.036260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.036260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.036260 (E_RNA)
where:
Base-Base interactions energy: -33.005
where: short stacking energy: -17.226
Base-Backbone interact. energy: 0.054
local terms energy: -55.085792
where:
bonds (distance) C4'-P energy: -8.102
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -8.986
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: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -90.556321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.556321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.556321 (E_RNA)
where:
Base-Base interactions energy: -28.590
where: short stacking energy: -28.477
Base-Backbone interact. energy: -0.028
local terms energy: -61.938493
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -14.953
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -6.085
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: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -293.578598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.578598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.578598 (E_RNA)
where:
Base-Base interactions energy: -204.606
where: short stacking energy: -82.375
Base-Backbone interact. energy: -0.143
local terms energy: -88.830117
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -10.223
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: 2, replica: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -289.946673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.946673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.946673 (E_RNA)
where:
Base-Base interactions energy: -192.147
where: short stacking energy: -79.184
Base-Backbone interact. energy: -0.084
local terms energy: -97.716131
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: -25.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -260.879252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.879252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.879252 (E_RNA)
where:
Base-Base interactions energy: -168.012
where: short stacking energy: -70.578
Base-Backbone interact. energy: -0.185
local terms energy: -92.682030
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -20.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -259.465899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.465899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.465899 (E_RNA)
where:
Base-Base interactions energy: -173.689
where: short stacking energy: -65.621
Base-Backbone interact. energy: -0.001
local terms energy: -85.776002
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -23.930
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: 8
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -214.433831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.433831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.433831 (E_RNA)
where:
Base-Base interactions energy: -134.742
where: short stacking energy: -58.801
Base-Backbone interact. energy: -0.547
local terms energy: -79.145682
where:
bonds (distance) C4'-P energy: -20.815
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -248.419667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.419667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.419667 (E_RNA)
where:
Base-Base interactions energy: -168.362
where: short stacking energy: -71.655
Base-Backbone interact. energy: -0.058
local terms energy: -79.999352
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -21.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -119.310583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.310583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.310583 (E_RNA)
where:
Base-Base interactions energy: -52.091
where: short stacking energy: -40.831
Base-Backbone interact. energy: -0.512
local terms energy: -66.707853
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -7.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -88.430207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.430207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.430207 (E_RNA)
where:
Base-Base interactions energy: -23.353
where: short stacking energy: -23.310
Base-Backbone interact. energy: -0.404
local terms energy: -64.672477
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: 0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -93.174050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.174050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.174050 (E_RNA)
where:
Base-Base interactions energy: -25.726
where: short stacking energy: -24.581
Base-Backbone interact. energy: -0.199
local terms energy: -67.248912
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -87.054113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.054113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.054113 (E_RNA)
where:
Base-Base interactions energy: -31.498
where: short stacking energy: -31.498
Base-Backbone interact. energy: -0.132
local terms energy: -55.423587
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -2.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -292.431147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.431147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.431147 (E_RNA)
where:
Base-Base interactions energy: -192.946
where: short stacking energy: -84.623
Base-Backbone interact. energy: -0.099
local terms energy: -99.386713
where:
bonds (distance) C4'-P energy: -21.233
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -25.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -283.053547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.053547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.053547 (E_RNA)
where:
Base-Base interactions energy: -192.683
where: short stacking energy: -74.958
Base-Backbone interact. energy: -0.521
local terms energy: -89.849066
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -23.375
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: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -255.618726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.618726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.618726 (E_RNA)
where:
Base-Base interactions energy: -173.041
where: short stacking energy: -64.404
Base-Backbone interact. energy: -0.046
local terms energy: -82.531704
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -16.184
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: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -225.697740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.697740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.697740 (E_RNA)
where:
Base-Base interactions energy: -159.081
where: short stacking energy: -65.587
Base-Backbone interact. energy: -0.223
local terms energy: -66.393092
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -246.803707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.803707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.803707 (E_RNA)
where:
Base-Base interactions energy: -160.408
where: short stacking energy: -74.329
Base-Backbone interact. energy: -0.099
local terms energy: -86.297296
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -243.060103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.060103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.060103 (E_RNA)
where:
Base-Base interactions energy: -162.480
where: short stacking energy: -78.031
Base-Backbone interact. energy: -0.028
local terms energy: -80.551587
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -2.511
tors. eta vs tors. theta energy: -24.253
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: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -107.812166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.812166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.812166 (E_RNA)
where:
Base-Base interactions energy: -48.307
where: short stacking energy: -35.538
Base-Backbone interact. energy: -1.548
local terms energy: -57.957307
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: 4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -104.682336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.682336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.682336 (E_RNA)
where:
Base-Base interactions energy: -37.997
where: short stacking energy: -37.997
Base-Backbone interact. energy: 1.222
local terms energy: -67.907645
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -114.663187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.663187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.663187 (E_RNA)
where:
Base-Base interactions energy: -69.102
where: short stacking energy: -33.802
Base-Backbone interact. energy: -0.598
local terms energy: -44.963147
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -99.164944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.164944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.164944 (E_RNA)
where:
Base-Base interactions energy: -40.518
where: short stacking energy: -22.644
Base-Backbone interact. energy: -1.725
local terms energy: -56.922562
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -5.370
tors. eta vs tors. theta energy: -1.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -307.022570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.022570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.022570 (E_RNA)
where:
Base-Base interactions energy: -207.961
where: short stacking energy: -89.114
Base-Backbone interact. energy: -0.193
local terms energy: -98.868987
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -20.741
flat angles C4'-P-C4' energy: -20.967
flat angles P-C4'-P energy: -13.261
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: 2, replica: 10
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -285.052659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.052659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.052659 (E_RNA)
where:
Base-Base interactions energy: -188.304
where: short stacking energy: -83.954
Base-Backbone interact. energy: -0.050
local terms energy: -96.698492
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -20.954
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -13.475
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: 3, replica: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -252.100932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.100932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.100932 (E_RNA)
where:
Base-Base interactions energy: -162.082
where: short stacking energy: -70.226
Base-Backbone interact. energy: -0.580
local terms energy: -89.438919
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -15.780
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: 4, replica: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -222.931727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.931727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.931727 (E_RNA)
where:
Base-Base interactions energy: -141.844
where: short stacking energy: -64.301
Base-Backbone interact. energy: -0.053
local terms energy: -81.035043
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -18.095
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: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -232.395444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.395444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.395444 (E_RNA)
where:
Base-Base interactions energy: -146.859
where: short stacking energy: -58.331
Base-Backbone interact. energy: -0.121
local terms energy: -85.415532
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -231.690891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.690891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.690891 (E_RNA)
where:
Base-Base interactions energy: -157.644
where: short stacking energy: -67.600
Base-Backbone interact. energy: -0.217
local terms energy: -73.829623
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -116.207948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.207948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.207948 (E_RNA)
where:
Base-Base interactions energy: -40.307
where: short stacking energy: -33.058
Base-Backbone interact. energy: -0.224
local terms energy: -75.677206
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -8.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -103.647638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.647638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.647638 (E_RNA)
where:
Base-Base interactions energy: -32.014
where: short stacking energy: -32.014
Base-Backbone interact. energy: -0.299
local terms energy: -71.334182
where:
bonds (distance) C4'-P energy: -18.883
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -111.667081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.667081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.667081 (E_RNA)
where:
Base-Base interactions energy: -63.248
where: short stacking energy: -27.416
Base-Backbone interact. energy: -1.200
local terms energy: -47.218920
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -3.047
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -89.722432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.722432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.722432 (E_RNA)
where:
Base-Base interactions energy: -36.403
where: short stacking energy: -36.403
Base-Backbone interact. energy: -0.183
local terms energy: -53.136099
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -2.635
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: 1
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -291.022889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.022889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.022889 (E_RNA)
where:
Base-Base interactions energy: -196.558
where: short stacking energy: -84.056
Base-Backbone interact. energy: -0.064
local terms energy: -94.400955
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -20.476
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -21.549
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: 2, replica: 10
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -294.757355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.757355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.757355 (E_RNA)
where:
Base-Base interactions energy: -204.410
where: short stacking energy: -79.917
Base-Backbone interact. energy: -0.196
local terms energy: -90.152239
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -22.259
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -23.225
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: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -249.661380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.661380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.661380 (E_RNA)
where:
Base-Base interactions energy: -159.463
where: short stacking energy: -77.192
Base-Backbone interact. energy: -0.635
local terms energy: -89.562999
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -25.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -268.669037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.669037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.669037 (E_RNA)
where:
Base-Base interactions energy: -183.988
where: short stacking energy: -89.401
Base-Backbone interact. energy: 2.469
local terms energy: -87.150197
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -7.024
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: 5, replica: 8
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -231.015249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.015249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.015249 (E_RNA)
where:
Base-Base interactions energy: -154.070
where: short stacking energy: -71.785
Base-Backbone interact. energy: -0.111
local terms energy: -76.834130
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -14.009
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: 6, replica: 7
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -240.051682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.051682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.051682 (E_RNA)
where:
Base-Base interactions energy: -158.448
where: short stacking energy: -70.633
Base-Backbone interact. energy: -0.167
local terms energy: -81.435809
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -10.950
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: 7, replica: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -108.469254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.469254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.469254 (E_RNA)
where:
Base-Base interactions energy: -35.581
where: short stacking energy: -31.460
Base-Backbone interact. energy: -0.169
local terms energy: -72.719230
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: 1.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -103.770343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.770343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.770343 (E_RNA)
where:
Base-Base interactions energy: -45.839
where: short stacking energy: -44.927
Base-Backbone interact. energy: -0.237
local terms energy: -57.694127
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -7.416
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: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -95.138877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.138877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.138877 (E_RNA)
where:
Base-Base interactions energy: -35.201
where: short stacking energy: -35.201
Base-Backbone interact. energy: -0.104
local terms energy: -59.834012
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -19.212
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: 0.493
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: 10, replica: 2
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -87.966871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.966871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.966871 (E_RNA)
where:
Base-Base interactions energy: -27.622
where: short stacking energy: -26.626
Base-Backbone interact. energy: -0.247
local terms energy: -60.097118
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -286.157150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.157150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.157150 (E_RNA)
where:
Base-Base interactions energy: -200.002
where: short stacking energy: -86.266
Base-Backbone interact. energy: -0.110
local terms energy: -86.044730
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -13.984
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: 2, replica: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -293.296715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.296715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.296715 (E_RNA)
where:
Base-Base interactions energy: -201.834
where: short stacking energy: -82.844
Base-Backbone interact. energy: -0.838
local terms energy: -90.624665
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -13.840
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: 3, replica: 3
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -287.035581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.035581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.035581 (E_RNA)
where:
Base-Base interactions energy: -203.300
where: short stacking energy: -86.873
Base-Backbone interact. energy: -0.366
local terms energy: -83.370080
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -5.296
tors. eta vs tors. theta energy: -24.593
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: 5
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -268.454644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.454644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.454644 (E_RNA)
where:
Base-Base interactions energy: -176.149
where: short stacking energy: -73.773
Base-Backbone interact. energy: -0.287
local terms energy: -92.018932
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -20.889
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: 450
Temperature: 1.100000
Total energy: -240.008292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.008292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.008292 (E_RNA)
where:
Base-Base interactions energy: -164.078
where: short stacking energy: -67.812
Base-Backbone interact. energy: -0.222
local terms energy: -75.708029
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -18.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -216.287023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.287023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.287023 (E_RNA)
where:
Base-Base interactions energy: -136.259
where: short stacking energy: -57.810
Base-Backbone interact. energy: -0.590
local terms energy: -79.437874
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -11.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -94.299976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.299976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.299976 (E_RNA)
where:
Base-Base interactions energy: -32.440
where: short stacking energy: -30.396
Base-Backbone interact. energy: -0.578
local terms energy: -61.281396
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -5.599
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: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -103.679895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.679895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.679895 (E_RNA)
where:
Base-Base interactions energy: -46.099
where: short stacking energy: -39.744
Base-Backbone interact. energy: -0.164
local terms energy: -57.416762
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -85.564443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.564443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.564443 (E_RNA)
where:
Base-Base interactions energy: -33.438
where: short stacking energy: -24.918
Base-Backbone interact. energy: 0.450
local terms energy: -52.575896
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: 5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -89.661222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.661222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.661222 (E_RNA)
where:
Base-Base interactions energy: -28.642
where: short stacking energy: -25.909
Base-Backbone interact. energy: -0.120
local terms energy: -60.899785
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -6.228
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: 10
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -278.769438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.769438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.769438 (E_RNA)
where:
Base-Base interactions energy: -187.714
where: short stacking energy: -79.311
Base-Backbone interact. energy: -0.201
local terms energy: -90.853851
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -24.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -298.235566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.235566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.235566 (E_RNA)
where:
Base-Base interactions energy: -208.582
where: short stacking energy: -83.211
Base-Backbone interact. energy: -0.653
local terms energy: -89.000913
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -23.484
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: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -274.115652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.115652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.115652 (E_RNA)
where:
Base-Base interactions energy: -182.040
where: short stacking energy: -82.141
Base-Backbone interact. energy: -0.447
local terms energy: -91.629292
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -24.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -277.318637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.318637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.318637 (E_RNA)
where:
Base-Base interactions energy: -181.786
where: short stacking energy: -82.355
Base-Backbone interact. energy: -0.206
local terms energy: -95.326525
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -19.066
flat angles P-C4'-P energy: -15.342
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: 5, replica: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -243.910472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.910472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.910472 (E_RNA)
where:
Base-Base interactions energy: -157.061
where: short stacking energy: -78.811
Base-Backbone interact. energy: -0.167
local terms energy: -86.681982
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -213.314786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.314786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.314786 (E_RNA)
where:
Base-Base interactions energy: -140.113
where: short stacking energy: -61.298
Base-Backbone interact. energy: -0.008
local terms energy: -73.194027
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -17.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -107.867399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.867399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.867399 (E_RNA)
where:
Base-Base interactions energy: -47.364
where: short stacking energy: -26.651
Base-Backbone interact. energy: 0.746
local terms energy: -61.249844
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -104.861578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.861578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.861578 (E_RNA)
where:
Base-Base interactions energy: -36.507
where: short stacking energy: -36.507
Base-Backbone interact. energy: -0.814
local terms energy: -67.540798
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -20.081
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -1.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -81.763417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.763417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.763417 (E_RNA)
where:
Base-Base interactions energy: -23.057
where: short stacking energy: -22.721
Base-Backbone interact. energy: -0.276
local terms energy: -58.430669
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: 5.692
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: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -85.137551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.137551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.137551 (E_RNA)
where:
Base-Base interactions energy: -23.239
where: short stacking energy: -16.280
Base-Backbone interact. energy: -0.241
local terms energy: -61.657972
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -285.939380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.939380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.939380 (E_RNA)
where:
Base-Base interactions energy: -193.515
where: short stacking energy: -73.981
Base-Backbone interact. energy: -0.100
local terms energy: -92.324472
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -21.109
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -20.128
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: 2, replica: 10
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -291.155558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.155558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.155558 (E_RNA)
where:
Base-Base interactions energy: -200.097
where: short stacking energy: -84.458
Base-Backbone interact. energy: -0.032
local terms energy: -91.026227
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -20.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -280.008961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.008961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.008961 (E_RNA)
where:
Base-Base interactions energy: -183.862
where: short stacking energy: -85.984
Base-Backbone interact. energy: -0.045
local terms energy: -96.101456
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -21.717
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -24.002
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: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -270.788736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.788736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.788736 (E_RNA)
where:
Base-Base interactions energy: -182.337
where: short stacking energy: -81.633
Base-Backbone interact. energy: -0.103
local terms energy: -88.348616
where:
bonds (distance) C4'-P energy: -19.392
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -22.904
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: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -267.874195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.874195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.874195 (E_RNA)
where:
Base-Base interactions energy: -176.651
where: short stacking energy: -68.965
Base-Backbone interact. energy: -0.000
local terms energy: -91.223222
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -26.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -213.527093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.527093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.527093 (E_RNA)
where:
Base-Base interactions energy: -135.496
where: short stacking energy: -71.820
Base-Backbone interact. energy: -0.177
local terms energy: -77.853649
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -15.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -102.207059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.207059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.207059 (E_RNA)
where:
Base-Base interactions energy: -32.378
where: short stacking energy: -29.832
Base-Backbone interact. energy: -0.027
local terms energy: -69.802133
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -6.586
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -93.488092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.488092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.488092 (E_RNA)
where:
Base-Base interactions energy: -31.248
where: short stacking energy: -31.248
Base-Backbone interact. energy: -0.104
local terms energy: -62.136490
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -11.719
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: 9, replica: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -100.423782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.423782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.423782 (E_RNA)
where:
Base-Base interactions energy: -44.323
where: short stacking energy: -34.669
Base-Backbone interact. energy: -0.128
local terms energy: -55.972557
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: 1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -84.530972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.530972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.530972 (E_RNA)
where:
Base-Base interactions energy: -32.456
where: short stacking energy: -31.856
Base-Backbone interact. energy: -0.429
local terms energy: -51.646166
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -1.700
tors. eta vs tors. theta energy: 0.297
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: 1
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -289.878218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.878218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.878218 (E_RNA)
where:
Base-Base interactions energy: -191.572
where: short stacking energy: -74.192
Base-Backbone interact. energy: -0.132
local terms energy: -98.174526
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -22.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -287.223178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.223178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.223178 (E_RNA)
where:
Base-Base interactions energy: -189.430
where: short stacking energy: -83.772
Base-Backbone interact. energy: -0.704
local terms energy: -97.088713
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -27.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -280.209207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.209207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.209207 (E_RNA)
where:
Base-Base interactions energy: -188.309
where: short stacking energy: -85.365
Base-Backbone interact. energy: -0.050
local terms energy: -91.850442
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -25.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -278.553430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.553430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.553430 (E_RNA)
where:
Base-Base interactions energy: -187.084
where: short stacking energy: -77.843
Base-Backbone interact. energy: -0.323
local terms energy: -91.146607
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -23.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -285.957140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.957140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.957140 (E_RNA)
where:
Base-Base interactions energy: -194.765
where: short stacking energy: -74.647
Base-Backbone interact. energy: -0.069
local terms energy: -91.123181
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -27.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -220.161986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.161986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.161986 (E_RNA)
where:
Base-Base interactions energy: -144.595
where: short stacking energy: -67.286
Base-Backbone interact. energy: -0.136
local terms energy: -75.431168
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -18.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -98.121890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.121890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.121890 (E_RNA)
where:
Base-Base interactions energy: -32.933
where: short stacking energy: -31.656
Base-Backbone interact. energy: -0.157
local terms energy: -65.032360
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -2.401
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: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -97.488123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.488123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.488123 (E_RNA)
where:
Base-Base interactions energy: -31.194
where: short stacking energy: -30.832
Base-Backbone interact. energy: 0.755
local terms energy: -67.049026
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -7.403
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: 2
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -102.908491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.908491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.908491 (E_RNA)
where:
Base-Base interactions energy: -36.960
where: short stacking energy: -36.960
Base-Backbone interact. energy: -0.122
local terms energy: -65.826486
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -5.010
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: 10, replica: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -99.757375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.757375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.757375 (E_RNA)
where:
Base-Base interactions energy: -38.225
where: short stacking energy: -27.138
Base-Backbone interact. energy: -1.910
local terms energy: -59.621829
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -1.819
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: 1, replica: 1
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -298.774310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.774310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.774310 (E_RNA)
where:
Base-Base interactions energy: -207.414
where: short stacking energy: -83.958
Base-Backbone interact. energy: -0.051
local terms energy: -91.309653
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -23.982
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: 10
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -281.076938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.076938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.076938 (E_RNA)
where:
Base-Base interactions energy: -181.743
where: short stacking energy: -84.459
Base-Backbone interact. energy: -0.008
local terms energy: -99.325926
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -27.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -283.034811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.034811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.034811 (E_RNA)
where:
Base-Base interactions energy: -196.871
where: short stacking energy: -84.766
Base-Backbone interact. energy: -0.003
local terms energy: -86.160312
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -14.622
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: 4, replica: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -280.866174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.866174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.866174 (E_RNA)
where:
Base-Base interactions energy: -190.745
where: short stacking energy: -84.224
Base-Backbone interact. energy: -0.042
local terms energy: -90.078983
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -25.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -269.516943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.516943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.516943 (E_RNA)
where:
Base-Base interactions energy: -178.179
where: short stacking energy: -75.407
Base-Backbone interact. energy: -0.045
local terms energy: -91.293030
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -15.464
tors. eta vs tors. theta energy: -24.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -219.335109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.335109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.335109 (E_RNA)
where:
Base-Base interactions energy: -139.747
where: short stacking energy: -62.637
Base-Backbone interact. energy: 0.096
local terms energy: -79.684607
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -12.394
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: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -98.049337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.049337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.049337 (E_RNA)
where:
Base-Base interactions energy: -35.477
where: short stacking energy: -21.881
Base-Backbone interact. energy: -0.294
local terms energy: -62.277888
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -3.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -96.941193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.941193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.941193 (E_RNA)
where:
Base-Base interactions energy: -45.555
where: short stacking energy: -36.993
Base-Backbone interact. energy: -0.130
local terms energy: -51.256278
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -9.718
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -6.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -89.316919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.316919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.316919 (E_RNA)
where:
Base-Base interactions energy: -35.497
where: short stacking energy: -32.512
Base-Backbone interact. energy: -0.127
local terms energy: -53.693626
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -4.993
tors. eta vs tors. theta energy: -3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -86.355989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.355989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.355989 (E_RNA)
where:
Base-Base interactions energy: -21.282
where: short stacking energy: -21.282
Base-Backbone interact. energy: -0.374
local terms energy: -64.699373
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: 2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -295.026575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.026575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.026575 (E_RNA)
where:
Base-Base interactions energy: -199.108
where: short stacking energy: -77.406
Base-Backbone interact. energy: -0.007
local terms energy: -95.911780
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -20.862
flat angles P-C4'-P energy: -17.936
tors. eta vs tors. theta energy: -21.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -281.808609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.808609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.808609 (E_RNA)
where:
Base-Base interactions energy: -189.524
where: short stacking energy: -80.572
Base-Backbone interact. energy: -0.119
local terms energy: -92.165763
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -26.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -277.934783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.934783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.934783 (E_RNA)
where:
Base-Base interactions energy: -184.577
where: short stacking energy: -78.571
Base-Backbone interact. energy: -0.002
local terms energy: -93.355953
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -24.457
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: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -278.793901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.793901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.793901 (E_RNA)
where:
Base-Base interactions energy: -189.520
where: short stacking energy: -80.337
Base-Backbone interact. energy: -0.111
local terms energy: -89.162316
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -263.594269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.594269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.594269 (E_RNA)
where:
Base-Base interactions energy: -180.566
where: short stacking energy: -73.087
Base-Backbone interact. energy: -0.119
local terms energy: -82.908864
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -25.039
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: 455
Temperature: 1.150000
Total energy: -231.618261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.618261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.618261 (E_RNA)
where:
Base-Base interactions energy: -144.901
where: short stacking energy: -74.424
Base-Backbone interact. energy: -0.182
local terms energy: -86.534943
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -127.184676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.184676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.184676 (E_RNA)
where:
Base-Base interactions energy: -69.243
where: short stacking energy: -40.773
Base-Backbone interact. energy: -0.162
local terms energy: -57.779851
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -4.299
tors. eta vs tors. theta energy: -4.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -106.186823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.186823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.186823 (E_RNA)
where:
Base-Base interactions energy: -42.640
where: short stacking energy: -34.092
Base-Backbone interact. energy: -0.793
local terms energy: -62.754244
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -6.584
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: 455
Temperature: 1.300000
Total energy: -97.266547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.266547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.266547 (E_RNA)
where:
Base-Base interactions energy: -30.854
where: short stacking energy: -24.881
Base-Backbone interact. energy: -0.087
local terms energy: -66.325679
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -3.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -93.831225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.831225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.831225 (E_RNA)
where:
Base-Base interactions energy: -38.211
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.471
local terms energy: -55.149234
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -7.299
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: 10
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -282.641814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.641814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.641814 (E_RNA)
where:
Base-Base interactions energy: -187.538
where: short stacking energy: -88.096
Base-Backbone interact. energy: -0.013
local terms energy: -95.090774
where:
bonds (distance) C4'-P energy: -19.794
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -24.953
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: 2, replica: 1
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -297.095540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.095540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.095540 (E_RNA)
where:
Base-Base interactions energy: -206.000
where: short stacking energy: -83.675
Base-Backbone interact. energy: -0.041
local terms energy: -91.054678
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -20.693
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: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -281.676572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.676572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.676572 (E_RNA)
where:
Base-Base interactions energy: -188.516
where: short stacking energy: -79.522
Base-Backbone interact. energy: 0.899
local terms energy: -94.059166
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -25.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -271.403235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.403235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.403235 (E_RNA)
where:
Base-Base interactions energy: -173.478
where: short stacking energy: -80.019
Base-Backbone interact. energy: -0.722
local terms energy: -97.203588
where:
bonds (distance) C4'-P energy: -20.664
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -21.894
flat angles P-C4'-P energy: -14.710
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: 5, replica: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -219.490904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.490904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.490904 (E_RNA)
where:
Base-Base interactions energy: -139.235
where: short stacking energy: -59.771
Base-Backbone interact. energy: -0.046
local terms energy: -80.210037
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -12.009
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: 6, replica: 7
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -277.991535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.991535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.991535 (E_RNA)
where:
Base-Base interactions energy: -190.662
where: short stacking energy: -80.095
Base-Backbone interact. energy: -0.100
local terms energy: -87.228811
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -22.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -102.285385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.285385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.285385 (E_RNA)
where:
Base-Base interactions energy: -33.046
where: short stacking energy: -29.810
Base-Backbone interact. energy: -0.004
local terms energy: -69.234719
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -6.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -119.988219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.988219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.988219 (E_RNA)
where:
Base-Base interactions energy: -47.965
where: short stacking energy: -30.386
Base-Backbone interact. energy: -0.273
local terms energy: -71.750957
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -12.829
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: 9, replica: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -126.735047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.735047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.735047 (E_RNA)
where:
Base-Base interactions energy: -53.315
where: short stacking energy: -50.815
Base-Backbone interact. energy: -0.101
local terms energy: -73.318880
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -86.228520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.228520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.228520 (E_RNA)
where:
Base-Base interactions energy: -33.521
where: short stacking energy: -31.800
Base-Backbone interact. energy: -2.139
local terms energy: -50.567918
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -1.456
tors. eta vs tors. theta energy: -4.916
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: 10
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -286.714479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.714479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.714479 (E_RNA)
where:
Base-Base interactions energy: -191.160
where: short stacking energy: -85.721
Base-Backbone interact. energy: -0.011
local terms energy: -95.543474
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -26.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -290.524349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.524349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.524349 (E_RNA)
where:
Base-Base interactions energy: -202.672
where: short stacking energy: -77.613
Base-Backbone interact. energy: -0.262
local terms energy: -87.590439
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -25.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -277.217844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.217844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.217844 (E_RNA)
where:
Base-Base interactions energy: -184.152
where: short stacking energy: -72.404
Base-Backbone interact. energy: -1.948
local terms energy: -91.117950
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -23.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -232.260016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.260016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.260016 (E_RNA)
where:
Base-Base interactions energy: -141.138
where: short stacking energy: -65.854
Base-Backbone interact. energy: -0.127
local terms energy: -90.994998
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -10.948
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: 5, replica: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -266.486177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.486177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.486177 (E_RNA)
where:
Base-Base interactions energy: -183.962
where: short stacking energy: -76.651
Base-Backbone interact. energy: -0.261
local terms energy: -82.263580
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -18.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -270.788271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.788271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.788271 (E_RNA)
where:
Base-Base interactions energy: -183.821
where: short stacking energy: -79.769
Base-Backbone interact. energy: -0.355
local terms energy: -86.612019
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -23.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -94.687079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.687079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.687079 (E_RNA)
where:
Base-Base interactions energy: -31.968
where: short stacking energy: -28.069
Base-Backbone interact. energy: -0.078
local terms energy: -62.641090
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: 1.320
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: 9
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -114.627531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.627531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.627531 (E_RNA)
where:
Base-Base interactions energy: -44.371
where: short stacking energy: -44.371
Base-Backbone interact. energy: -1.080
local terms energy: -69.176640
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -8.967
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: 9, replica: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -97.511923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.511923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.511923 (E_RNA)
where:
Base-Base interactions energy: -37.733
where: short stacking energy: -37.733
Base-Backbone interact. energy: 0.395
local terms energy: -60.174069
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -5.224
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: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -86.615282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.615282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.615282 (E_RNA)
where:
Base-Base interactions energy: -32.758
where: short stacking energy: -24.522
Base-Backbone interact. energy: -0.786
local terms energy: -53.070812
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -0.571
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: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -280.953450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.953450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.953450 (E_RNA)
where:
Base-Base interactions energy: -185.649
where: short stacking energy: -83.296
Base-Backbone interact. energy: -0.034
local terms energy: -95.271126
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -20.949
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -24.548
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: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -289.073194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.073194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.073194 (E_RNA)
where:
Base-Base interactions energy: -189.276
where: short stacking energy: -86.777
Base-Backbone interact. energy: -0.231
local terms energy: -99.566332
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -19.909
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -25.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -262.790437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.790437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.790437 (E_RNA)
where:
Base-Base interactions energy: -162.983
where: short stacking energy: -69.183
Base-Backbone interact. energy: -0.100
local terms energy: -99.707814
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -26.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -228.431083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.431083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.431083 (E_RNA)
where:
Base-Base interactions energy: -141.060
where: short stacking energy: -68.787
Base-Backbone interact. energy: -0.122
local terms energy: -87.248901
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -23.417
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: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -265.175646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.175646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.175646 (E_RNA)
where:
Base-Base interactions energy: -174.332
where: short stacking energy: -77.405
Base-Backbone interact. energy: -0.640
local terms energy: -90.204090
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -23.980
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: 458
Temperature: 1.150000
Total energy: -254.818111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.818111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.818111 (E_RNA)
where:
Base-Base interactions energy: -173.925
where: short stacking energy: -75.175
Base-Backbone interact. energy: -0.106
local terms energy: -80.787844
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -18.761
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -22.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -104.657029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.657029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.657029 (E_RNA)
where:
Base-Base interactions energy: -46.685
where: short stacking energy: -34.549
Base-Backbone interact. energy: -0.261
local terms energy: -57.710393
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -11.659
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: 8, replica: 9
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -104.488559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.488559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.488559 (E_RNA)
where:
Base-Base interactions energy: -45.782
where: short stacking energy: -36.404
Base-Backbone interact. energy: -0.264
local terms energy: -58.442625
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -95.029596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.029596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.029596 (E_RNA)
where:
Base-Base interactions energy: -32.688
where: short stacking energy: -24.212
Base-Backbone interact. energy: -0.179
local terms energy: -62.163432
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: 2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -90.084840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.084840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.084840 (E_RNA)
where:
Base-Base interactions energy: -33.013
where: short stacking energy: -31.649
Base-Backbone interact. energy: -0.506
local terms energy: -56.566243
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -5.165
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: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -271.382523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.382523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.382523 (E_RNA)
where:
Base-Base interactions energy: -185.943
where: short stacking energy: -79.653
Base-Backbone interact. energy: -0.103
local terms energy: -85.336194
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -22.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -289.564475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.564475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.564475 (E_RNA)
where:
Base-Base interactions energy: -192.572
where: short stacking energy: -90.864
Base-Backbone interact. energy: -2.201
local terms energy: -94.791345
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -29.253
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: 1
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -272.076232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.076232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.076232 (E_RNA)
where:
Base-Base interactions energy: -189.531
where: short stacking energy: -83.678
Base-Backbone interact. energy: -0.160
local terms energy: -82.385233
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -22.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -264.620150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.620150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.620150 (E_RNA)
where:
Base-Base interactions energy: -183.585
where: short stacking energy: -76.792
Base-Backbone interact. energy: -0.057
local terms energy: -80.978708
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -19.765
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -20.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -242.709137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.709137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.709137 (E_RNA)
where:
Base-Base interactions energy: -170.462
where: short stacking energy: -63.873
Base-Backbone interact. energy: -0.050
local terms energy: -72.197669
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -20.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -248.772838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.772838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.772838 (E_RNA)
where:
Base-Base interactions energy: -165.468
where: short stacking energy: -74.593
Base-Backbone interact. energy: -0.005
local terms energy: -83.299827
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -21.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -129.397707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.397707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.397707 (E_RNA)
where:
Base-Base interactions energy: -76.111
where: short stacking energy: -33.633
Base-Backbone interact. energy: -0.355
local terms energy: -52.931442
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: 5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -104.559916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.559916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.559916 (E_RNA)
where:
Base-Base interactions energy: -36.015
where: short stacking energy: -29.908
Base-Backbone interact. energy: -0.569
local terms energy: -67.975789
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -8.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -91.544672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.544672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.544672 (E_RNA)
where:
Base-Base interactions energy: -37.883
where: short stacking energy: -26.341
Base-Backbone interact. energy: -0.236
local terms energy: -53.425480
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -81.291192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.291192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.291192 (E_RNA)
where:
Base-Base interactions energy: -25.644
where: short stacking energy: -25.644
Base-Backbone interact. energy: -0.231
local terms energy: -55.415988
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -2.703
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: 1, replica: 10
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -284.153951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.153951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.153951 (E_RNA)
where:
Base-Base interactions energy: -181.982
where: short stacking energy: -88.322
Base-Backbone interact. energy: -0.077
local terms energy: -102.095423
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -28.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -292.424819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.424819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.424819 (E_RNA)
where:
Base-Base interactions energy: -204.114
where: short stacking energy: -84.017
Base-Backbone interact. energy: -0.061
local terms energy: -88.250076
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -27.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -280.777807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.777807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.777807 (E_RNA)
where:
Base-Base interactions energy: -180.723
where: short stacking energy: -82.593
Base-Backbone interact. energy: -0.001
local terms energy: -100.053167
where:
bonds (distance) C4'-P energy: -20.749
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -28.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -276.731589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.731589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.731589 (E_RNA)
where:
Base-Base interactions energy: -190.257
where: short stacking energy: -82.849
Base-Backbone interact. energy: -0.099
local terms energy: -86.376394
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -24.193
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: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -252.052146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.052146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.052146 (E_RNA)
where:
Base-Base interactions energy: -177.941
where: short stacking energy: -69.232
Base-Backbone interact. energy: 1.807
local terms energy: -75.917816
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -20.497
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -13.860
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: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -255.577613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.577613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.577613 (E_RNA)
where:
Base-Base interactions energy: -175.544
where: short stacking energy: -65.300
Base-Backbone interact. energy: -0.727
local terms energy: -79.305669
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -11.449
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: 7, replica: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -152.589336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.589336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.589336 (E_RNA)
where:
Base-Base interactions energy: -84.772
where: short stacking energy: -51.759
Base-Backbone interact. energy: -0.216
local terms energy: -67.601701
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -7.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -100.437032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.437032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.437032 (E_RNA)
where:
Base-Base interactions energy: -35.151
where: short stacking energy: -34.338
Base-Backbone interact. energy: -0.161
local terms energy: -65.124426
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -91.091014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.091014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.091014 (E_RNA)
where:
Base-Base interactions energy: -29.166
where: short stacking energy: -29.149
Base-Backbone interact. energy: 1.244
local terms energy: -63.169294
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: 4.020
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: 2
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -89.772482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.772482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.772482 (E_RNA)
where:
Base-Base interactions energy: -30.545
where: short stacking energy: -16.365
Base-Backbone interact. energy: -0.288
local terms energy: -58.938719
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -6.393
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: 1, replica: 10
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -289.174546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.174546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.174546 (E_RNA)
where:
Base-Base interactions energy: -196.809
where: short stacking energy: -84.299
Base-Backbone interact. energy: -0.064
local terms energy: -92.300866
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -9.684
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: 2, replica: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -284.637752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.637752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.637752 (E_RNA)
where:
Base-Base interactions energy: -198.366
where: short stacking energy: -80.682
Base-Backbone interact. energy: -0.045
local terms energy: -86.226570
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -24.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -285.920690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.920690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.920690 (E_RNA)
where:
Base-Base interactions energy: -194.812
where: short stacking energy: -91.773
Base-Backbone interact. energy: -0.002
local terms energy: -91.106726
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -27.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -248.719099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.719099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.719099 (E_RNA)
where:
Base-Base interactions energy: -165.855
where: short stacking energy: -64.316
Base-Backbone interact. energy: -0.201
local terms energy: -82.663342
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -15.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -275.326204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.326204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.326204 (E_RNA)
where:
Base-Base interactions energy: -187.660
where: short stacking energy: -84.011
Base-Backbone interact. energy: 0.415
local terms energy: -88.081636
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -21.916
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: 461
Temperature: 1.150000
Total energy: -267.100674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.100674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.100674 (E_RNA)
where:
Base-Base interactions energy: -180.280
where: short stacking energy: -68.145
Base-Backbone interact. energy: -0.375
local terms energy: -86.445044
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -21.718
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: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -151.225541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.225541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.225541 (E_RNA)
where:
Base-Base interactions energy: -88.635
where: short stacking energy: -51.603
Base-Backbone interact. energy: 0.112
local terms energy: -62.701947
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -3.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -91.696272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.696272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.696272 (E_RNA)
where:
Base-Base interactions energy: -38.200
where: short stacking energy: -26.028
Base-Backbone interact. energy: 1.511
local terms energy: -55.007228
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -21.063
flat angles P-C4'-P energy: -2.219
tors. eta vs tors. theta energy: 1.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -95.972026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.972026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.972026 (E_RNA)
where:
Base-Base interactions energy: -34.773
where: short stacking energy: -33.590
Base-Backbone interact. energy: -0.424
local terms energy: -60.774683
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -9.637
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: 10, replica: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -95.361377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.361377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.361377 (E_RNA)
where:
Base-Base interactions energy: -30.213
where: short stacking energy: -29.039
Base-Backbone interact. energy: -0.112
local terms energy: -65.036660
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -295.286321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.286321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.286321 (E_RNA)
where:
Base-Base interactions energy: -195.929
where: short stacking energy: -91.550
Base-Backbone interact. energy: -0.590
local terms energy: -98.767480
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -27.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -284.027232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.027232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.027232 (E_RNA)
where:
Base-Base interactions energy: -190.603
where: short stacking energy: -79.017
Base-Backbone interact. energy: -0.008
local terms energy: -93.416644
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -23.021
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: 3, replica: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -282.561936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.561936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.561936 (E_RNA)
where:
Base-Base interactions energy: -189.417
where: short stacking energy: -82.661
Base-Backbone interact. energy: -0.214
local terms energy: -92.931163
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -20.482
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -23.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -275.094890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.094890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.094890 (E_RNA)
where:
Base-Base interactions energy: -196.685
where: short stacking energy: -84.229
Base-Backbone interact. energy: -0.003
local terms energy: -78.406782
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -22.142
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: 5, replica: 8
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -264.097214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.097214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.097214 (E_RNA)
where:
Base-Base interactions energy: -174.253
where: short stacking energy: -62.256
Base-Backbone interact. energy: -0.508
local terms energy: -89.336221
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -20.990
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: 6, replica: 1
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -240.841804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.841804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.841804 (E_RNA)
where:
Base-Base interactions energy: -162.957
where: short stacking energy: -66.699
Base-Backbone interact. energy: -0.259
local terms energy: -77.626006
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -20.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -151.130911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.130911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.130911 (E_RNA)
where:
Base-Base interactions energy: -87.722
where: short stacking energy: -37.621
Base-Backbone interact. energy: 0.536
local terms energy: -63.945584
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -6.020
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: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -107.360543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.360543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.360543 (E_RNA)
where:
Base-Base interactions energy: -55.817
where: short stacking energy: -36.015
Base-Backbone interact. energy: -0.927
local terms energy: -50.616897
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -2.620
tors. eta vs tors. theta energy: -2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -94.387459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.387459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.387459 (E_RNA)
where:
Base-Base interactions energy: -41.237
where: short stacking energy: -35.377
Base-Backbone interact. energy: -0.023
local terms energy: -53.127720
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -7.304
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: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -93.464075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.464075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.464075 (E_RNA)
where:
Base-Base interactions energy: -44.373
where: short stacking energy: -32.635
Base-Backbone interact. energy: -0.573
local terms energy: -48.518485
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -3.894
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -289.495246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.495246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.495246 (E_RNA)
where:
Base-Base interactions energy: -200.372
where: short stacking energy: -82.283
Base-Backbone interact. energy: -0.022
local terms energy: -89.101444
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -13.867
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: 2, replica: 3
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -289.603067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.603067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.603067 (E_RNA)
where:
Base-Base interactions energy: -187.810
where: short stacking energy: -98.696
Base-Backbone interact. energy: -0.032
local terms energy: -101.761564
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -30.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -273.513303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.513303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.513303 (E_RNA)
where:
Base-Base interactions energy: -183.310
where: short stacking energy: -87.371
Base-Backbone interact. energy: 1.833
local terms energy: -92.035736
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -22.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -265.620456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.620456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.620456 (E_RNA)
where:
Base-Base interactions energy: -180.001
where: short stacking energy: -74.547
Base-Backbone interact. energy: 0.268
local terms energy: -85.887997
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -19.973
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: -21.275
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: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -281.452955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.452955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.452955 (E_RNA)
where:
Base-Base interactions energy: -192.549
where: short stacking energy: -83.053
Base-Backbone interact. energy: -0.017
local terms energy: -88.886045
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -26.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -230.438511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.438511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.438511 (E_RNA)
where:
Base-Base interactions energy: -143.941
where: short stacking energy: -63.769
Base-Backbone interact. energy: -0.613
local terms energy: -85.884301
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -21.512
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -19.195
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: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -138.424179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.424179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.424179 (E_RNA)
where:
Base-Base interactions energy: -74.154
where: short stacking energy: -39.212
Base-Backbone interact. energy: -0.257
local terms energy: -64.012256
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -100.146249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.146249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.146249 (E_RNA)
where:
Base-Base interactions energy: -39.651
where: short stacking energy: -39.651
Base-Backbone interact. energy: 0.804
local terms energy: -61.299101
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -6.995
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: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -127.327412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.327412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.327412 (E_RNA)
where:
Base-Base interactions energy: -72.251
where: short stacking energy: -36.830
Base-Backbone interact. energy: 2.306
local terms energy: -57.382695
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -9.307
flat angles P-C4'-P energy: -10.790
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: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -91.101610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.101610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.101610 (E_RNA)
where:
Base-Base interactions energy: -31.043
where: short stacking energy: -25.504
Base-Backbone interact. energy: -0.207
local terms energy: -59.852120
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -2.709
tors. eta vs tors. theta energy: -6.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -296.434859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.434859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.434859 (E_RNA)
where:
Base-Base interactions energy: -192.480
where: short stacking energy: -87.863
Base-Backbone interact. energy: -0.059
local terms energy: -103.896352
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -16.425
tors. eta vs tors. theta energy: -27.925
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: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -295.231958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.231958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.231958 (E_RNA)
where:
Base-Base interactions energy: -197.424
where: short stacking energy: -88.358
Base-Backbone interact. energy: -0.130
local terms energy: -97.678200
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -28.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -285.716440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.716440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.716440 (E_RNA)
where:
Base-Base interactions energy: -196.889
where: short stacking energy: -74.631
Base-Backbone interact. energy: -0.110
local terms energy: -88.718146
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -20.218
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -270.426921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.426921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.426921 (E_RNA)
where:
Base-Base interactions energy: -175.287
where: short stacking energy: -80.154
Base-Backbone interact. energy: -0.044
local terms energy: -95.095695
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -27.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -275.788443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.788443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.788443 (E_RNA)
where:
Base-Base interactions energy: -193.482
where: short stacking energy: -77.250
Base-Backbone interact. energy: -0.084
local terms energy: -82.222369
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -20.811
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -21.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -243.376897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.376897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.376897 (E_RNA)
where:
Base-Base interactions energy: -152.859
where: short stacking energy: -66.380
Base-Backbone interact. energy: -0.303
local terms energy: -90.214285
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -17.159
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: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -112.988895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.988895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.988895 (E_RNA)
where:
Base-Base interactions energy: -49.492
where: short stacking energy: -38.479
Base-Backbone interact. energy: -0.232
local terms energy: -63.264079
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -7.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -92.850081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.850081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.850081 (E_RNA)
where:
Base-Base interactions energy: -28.185
where: short stacking energy: -17.903
Base-Backbone interact. energy: -0.352
local terms energy: -64.312485
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -19.255
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -0.837
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: 464
Temperature: 1.300000
Total energy: -104.304736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.304736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.304736 (E_RNA)
where:
Base-Base interactions energy: -44.101
where: short stacking energy: -41.488
Base-Backbone interact. energy: -0.139
local terms energy: -60.064517
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -1.849
tors. eta vs tors. theta energy: -11.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -88.957336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.957336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.957336 (E_RNA)
where:
Base-Base interactions energy: -33.282
where: short stacking energy: -29.232
Base-Backbone interact. energy: -0.149
local terms energy: -55.526347
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: 1.503
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: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -284.373552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.373552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.373552 (E_RNA)
where:
Base-Base interactions energy: -189.299
where: short stacking energy: -82.684
Base-Backbone interact. energy: -0.001
local terms energy: -95.074021
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -23.846
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: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -281.585602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.585602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.585602 (E_RNA)
where:
Base-Base interactions energy: -189.420
where: short stacking energy: -76.865
Base-Backbone interact. energy: -0.338
local terms energy: -91.827534
where:
bonds (distance) C4'-P energy: -20.737
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -22.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -275.935737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.935737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.935737 (E_RNA)
where:
Base-Base interactions energy: -178.002
where: short stacking energy: -74.688
Base-Backbone interact. energy: -0.039
local terms energy: -97.894527
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -19.519
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -25.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -274.872348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.872348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.872348 (E_RNA)
where:
Base-Base interactions energy: -174.152
where: short stacking energy: -81.977
Base-Backbone interact. energy: -2.550
local terms energy: -98.170085
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -28.608
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: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -245.023537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.023537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.023537 (E_RNA)
where:
Base-Base interactions energy: -169.097
where: short stacking energy: -70.001
Base-Backbone interact. energy: -0.378
local terms energy: -75.548124
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -20.307
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: 465
Temperature: 1.150000
Total energy: -241.729414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.729414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.729414 (E_RNA)
where:
Base-Base interactions energy: -164.633
where: short stacking energy: -69.977
Base-Backbone interact. energy: -0.144
local terms energy: -76.952333
where:
bonds (distance) C4'-P energy: -17.919
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -106.087313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.087313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.087313 (E_RNA)
where:
Base-Base interactions energy: -46.651
where: short stacking energy: -34.995
Base-Backbone interact. energy: -0.329
local terms energy: -59.107181
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -9.528
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: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -101.226995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.226995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.226995 (E_RNA)
where:
Base-Base interactions energy: -47.124
where: short stacking energy: -35.860
Base-Backbone interact. energy: -0.139
local terms energy: -53.963834
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -5.844
tors. eta vs tors. theta energy: -5.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -91.759842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.759842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.759842 (E_RNA)
where:
Base-Base interactions energy: -36.666
where: short stacking energy: -33.503
Base-Backbone interact. energy: 0.144
local terms energy: -55.237697
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -95.405978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.405978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.405978 (E_RNA)
where:
Base-Base interactions energy: -30.808
where: short stacking energy: -30.156
Base-Backbone interact. energy: -0.659
local terms energy: -63.938591
where:
bonds (distance) C4'-P energy: -9.849
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -5.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -282.955716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.955716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.955716 (E_RNA)
where:
Base-Base interactions energy: -189.577
where: short stacking energy: -77.913
Base-Backbone interact. energy: -0.011
local terms energy: -93.367554
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -12.199
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: 2, replica: 3
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -286.331338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.331338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.331338 (E_RNA)
where:
Base-Base interactions energy: -194.807
where: short stacking energy: -82.215
Base-Backbone interact. energy: -0.072
local terms energy: -91.452614
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -13.306
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: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -283.337677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.337677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.337677 (E_RNA)
where:
Base-Base interactions energy: -189.560
where: short stacking energy: -80.168
Base-Backbone interact. energy: -0.102
local terms energy: -93.676165
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -25.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -278.464684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.464684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.464684 (E_RNA)
where:
Base-Base interactions energy: -190.771
where: short stacking energy: -86.636
Base-Backbone interact. energy: -0.002
local terms energy: -87.691744
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -24.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -249.746629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.746629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.746629 (E_RNA)
where:
Base-Base interactions energy: -166.856
where: short stacking energy: -67.838
Base-Backbone interact. energy: -0.027
local terms energy: -82.864378
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -16.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -237.789812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.789812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.789812 (E_RNA)
where:
Base-Base interactions energy: -156.108
where: short stacking energy: -71.935
Base-Backbone interact. energy: -0.590
local terms energy: -81.091791
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -19.696
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: 9
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -105.540319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.540319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.540319 (E_RNA)
where:
Base-Base interactions energy: -38.770
where: short stacking energy: -38.770
Base-Backbone interact. energy: -0.133
local terms energy: -66.637222
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -9.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -104.340039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.340039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.340039 (E_RNA)
where:
Base-Base interactions energy: -50.064
where: short stacking energy: -29.920
Base-Backbone interact. energy: 0.058
local terms energy: -54.333879
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -0.076
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: 466
Temperature: 1.300000
Total energy: -103.194960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.194960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.194960 (E_RNA)
where:
Base-Base interactions energy: -36.230
where: short stacking energy: -25.690
Base-Backbone interact. energy: -0.094
local terms energy: -66.870808
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -4.935
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: 2
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -83.936515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.936515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.936515 (E_RNA)
where:
Base-Base interactions energy: -27.848
where: short stacking energy: -22.490
Base-Backbone interact. energy: -2.139
local terms energy: -53.949228
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -5.985
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: 1, replica: 8
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -285.985405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.985405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.985405 (E_RNA)
where:
Base-Base interactions energy: -201.330
where: short stacking energy: -77.686
Base-Backbone interact. energy: -0.017
local terms energy: -84.638222
where:
bonds (distance) C4'-P energy: -19.777
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -20.828
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: 2, replica: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -276.163367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.163367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.163367 (E_RNA)
where:
Base-Base interactions energy: -185.941
where: short stacking energy: -78.419
Base-Backbone interact. energy: -0.207
local terms energy: -90.015470
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -21.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -281.710527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.710527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.710527 (E_RNA)
where:
Base-Base interactions energy: -187.472
where: short stacking energy: -92.383
Base-Backbone interact. energy: -0.171
local terms energy: -94.067277
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -26.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -270.806407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.806407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.806407 (E_RNA)
where:
Base-Base interactions energy: -180.988
where: short stacking energy: -83.058
Base-Backbone interact. energy: -0.042
local terms energy: -89.776379
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -24.752
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: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -277.162162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.162162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.162162 (E_RNA)
where:
Base-Base interactions energy: -180.704
where: short stacking energy: -76.970
Base-Backbone interact. energy: -0.081
local terms energy: -96.377159
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -27.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -238.531811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.531811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.531811 (E_RNA)
where:
Base-Base interactions energy: -172.808
where: short stacking energy: -78.373
Base-Backbone interact. energy: 0.979
local terms energy: -66.702537
where:
bonds (distance) C4'-P energy: -8.623
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -102.898524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.898524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.898524 (E_RNA)
where:
Base-Base interactions energy: -50.444
where: short stacking energy: -43.306
Base-Backbone interact. energy: -0.183
local terms energy: -52.271476
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -0.772
tors. eta vs tors. theta energy: -5.934
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: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -99.092365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.092365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.092365 (E_RNA)
where:
Base-Base interactions energy: -37.273
where: short stacking energy: -37.273
Base-Backbone interact. energy: -0.049
local terms energy: -61.770656
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -129.933478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.933478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.933478 (E_RNA)
where:
Base-Base interactions energy: -70.044
where: short stacking energy: -31.105
Base-Backbone interact. energy: -0.138
local terms energy: -59.751834
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -8.283
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -100.624831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.624831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.624831 (E_RNA)
where:
Base-Base interactions energy: -35.916
where: short stacking energy: -35.916
Base-Backbone interact. energy: -0.130
local terms energy: -64.578837
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -4.614
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: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -290.823551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.823551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.823551 (E_RNA)
where:
Base-Base interactions energy: -189.631
where: short stacking energy: -86.733
Base-Backbone interact. energy: -0.826
local terms energy: -100.366446
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -15.381
tors. eta vs tors. theta energy: -28.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -290.392598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.392598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.392598 (E_RNA)
where:
Base-Base interactions energy: -196.634
where: short stacking energy: -78.059
Base-Backbone interact. energy: -0.142
local terms energy: -93.616448
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -26.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -289.225488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.225488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.225488 (E_RNA)
where:
Base-Base interactions energy: -194.997
where: short stacking energy: -86.281
Base-Backbone interact. energy: -0.036
local terms energy: -94.192274
where:
bonds (distance) C4'-P energy: -18.534
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -25.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -276.842486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.842486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.842486 (E_RNA)
where:
Base-Base interactions energy: -179.473
where: short stacking energy: -86.836
Base-Backbone interact. energy: -0.001
local terms energy: -97.369004
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -27.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -230.120851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.120851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.120851 (E_RNA)
where:
Base-Base interactions energy: -158.780
where: short stacking energy: -61.880
Base-Backbone interact. energy: -0.069
local terms energy: -71.271462
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -8.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -245.967512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.967512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.967512 (E_RNA)
where:
Base-Base interactions energy: -168.362
where: short stacking energy: -71.921
Base-Backbone interact. energy: -0.196
local terms energy: -77.409590
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -19.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -103.415327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.415327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.415327 (E_RNA)
where:
Base-Base interactions energy: -42.891
where: short stacking energy: -42.891
Base-Backbone interact. energy: -0.064
local terms energy: -60.460193
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -98.775596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.775596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.775596 (E_RNA)
where:
Base-Base interactions energy: -35.798
where: short stacking energy: -35.798
Base-Backbone interact. energy: -0.431
local terms energy: -62.546294
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -9.088
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -9.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -87.174765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.174765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.174765 (E_RNA)
where:
Base-Base interactions energy: -24.860
where: short stacking energy: -24.774
Base-Backbone interact. energy: -0.141
local terms energy: -62.173816
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -6.701
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: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -102.810157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.810157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.810157 (E_RNA)
where:
Base-Base interactions energy: -48.070
where: short stacking energy: -23.407
Base-Backbone interact. energy: -0.519
local terms energy: -54.221134
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -1.801
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: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -292.132950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.132950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.132950 (E_RNA)
where:
Base-Base interactions energy: -199.577
where: short stacking energy: -90.981
Base-Backbone interact. energy: -0.005
local terms energy: -92.551275
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -15.222
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: 2, replica: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -286.756271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.756271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.756271 (E_RNA)
where:
Base-Base interactions energy: -191.369
where: short stacking energy: -84.450
Base-Backbone interact. energy: -1.007
local terms energy: -94.380142
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -26.302
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: 8
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -287.512861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.512861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.512861 (E_RNA)
where:
Base-Base interactions energy: -201.905
where: short stacking energy: -80.648
Base-Backbone interact. energy: -0.105
local terms energy: -85.503390
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -24.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -269.687897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.687897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.687897 (E_RNA)
where:
Base-Base interactions energy: -183.241
where: short stacking energy: -80.501
Base-Backbone interact. energy: -0.969
local terms energy: -85.477675
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -22.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -243.994065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.994065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.994065 (E_RNA)
where:
Base-Base interactions energy: -163.667
where: short stacking energy: -74.762
Base-Backbone interact. energy: -0.126
local terms energy: -80.200834
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -239.749715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.749715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.749715 (E_RNA)
where:
Base-Base interactions energy: -152.930
where: short stacking energy: -59.802
Base-Backbone interact. energy: -0.072
local terms energy: -86.747087
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -22.774
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: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -105.814465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.814465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.814465 (E_RNA)
where:
Base-Base interactions energy: -41.090
where: short stacking energy: -41.090
Base-Backbone interact. energy: -0.087
local terms energy: -64.636673
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -10.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -103.313944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.313944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.313944 (E_RNA)
where:
Base-Base interactions energy: -38.639
where: short stacking energy: -38.639
Base-Backbone interact. energy: -0.154
local terms energy: -64.521430
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -5.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -91.349637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.349637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.349637 (E_RNA)
where:
Base-Base interactions energy: -27.344
where: short stacking energy: -27.344
Base-Backbone interact. energy: -0.289
local terms energy: -63.716172
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -10.049
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: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -98.594642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.594642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.594642 (E_RNA)
where:
Base-Base interactions energy: -34.812
where: short stacking energy: -34.474
Base-Backbone interact. energy: 0.059
local terms energy: -63.841240
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -5.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -285.257254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.257254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.257254 (E_RNA)
where:
Base-Base interactions energy: -186.991
where: short stacking energy: -85.832
Base-Backbone interact. energy: -0.007
local terms energy: -98.259674
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -29.674
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: 2, replica: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -287.626607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.626607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.626607 (E_RNA)
where:
Base-Base interactions energy: -190.241
where: short stacking energy: -79.919
Base-Backbone interact. energy: -0.065
local terms energy: -97.319955
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -29.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -288.433580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.433580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.433580 (E_RNA)
where:
Base-Base interactions energy: -199.966
where: short stacking energy: -80.588
Base-Backbone interact. energy: -0.100
local terms energy: -88.367790
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -21.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -268.410867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.410867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.410867 (E_RNA)
where:
Base-Base interactions energy: -181.865
where: short stacking energy: -83.518
Base-Backbone interact. energy: -0.007
local terms energy: -86.539085
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -25.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -251.824919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.824919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.824919 (E_RNA)
where:
Base-Base interactions energy: -160.442
where: short stacking energy: -68.414
Base-Backbone interact. energy: -0.136
local terms energy: -91.246427
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -257.742672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.742672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.742672 (E_RNA)
where:
Base-Base interactions energy: -162.792
where: short stacking energy: -75.913
Base-Backbone interact. energy: 0.517
local terms energy: -95.467537
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -26.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -131.633210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.633210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.633210 (E_RNA)
where:
Base-Base interactions energy: -70.699
where: short stacking energy: -33.600
Base-Backbone interact. energy: -0.224
local terms energy: -60.710292
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -3.104
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -103.324826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.324826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.324826 (E_RNA)
where:
Base-Base interactions energy: -40.735
where: short stacking energy: -37.810
Base-Backbone interact. energy: -0.405
local terms energy: -62.185212
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -81.009404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.009404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.009404 (E_RNA)
where:
Base-Base interactions energy: -31.305
where: short stacking energy: -28.862
Base-Backbone interact. energy: -0.146
local terms energy: -49.558074
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: 4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -100.334308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.334308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.334308 (E_RNA)
where:
Base-Base interactions energy: -45.564
where: short stacking energy: -29.848
Base-Backbone interact. energy: -1.127
local terms energy: -53.643161
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: 3.204
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: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -294.710194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.710194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.710194 (E_RNA)
where:
Base-Base interactions energy: -194.077
where: short stacking energy: -84.983
Base-Backbone interact. energy: -0.176
local terms energy: -100.456543
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -20.913
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -27.245
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: 471
Temperature: 0.950000
Total energy: -285.642093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.642093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.642093 (E_RNA)
where:
Base-Base interactions energy: -192.677
where: short stacking energy: -74.866
Base-Backbone interact. energy: -0.164
local terms energy: -92.800307
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -20.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -278.656690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.656690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.656690 (E_RNA)
where:
Base-Base interactions energy: -180.519
where: short stacking energy: -79.846
Base-Backbone interact. energy: -0.155
local terms energy: -97.982563
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -26.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -269.966967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.966967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.966967 (E_RNA)
where:
Base-Base interactions energy: -175.785
where: short stacking energy: -80.610
Base-Backbone interact. energy: -0.012
local terms energy: -94.170212
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -26.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -272.343255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.343255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.343255 (E_RNA)
where:
Base-Base interactions energy: -189.709
where: short stacking energy: -77.909
Base-Backbone interact. energy: -0.014
local terms energy: -82.619844
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -11.033
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: 6, replica: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -240.788951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.788951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.788951 (E_RNA)
where:
Base-Base interactions energy: -159.071
where: short stacking energy: -69.245
Base-Backbone interact. energy: -0.395
local terms energy: -81.322366
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -20.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -104.130416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.130416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.130416 (E_RNA)
where:
Base-Base interactions energy: -48.576
where: short stacking energy: -30.101
Base-Backbone interact. energy: -0.211
local terms energy: -55.343705
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -96.654893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.654893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.654893 (E_RNA)
where:
Base-Base interactions energy: -38.914
where: short stacking energy: -27.398
Base-Backbone interact. energy: -0.168
local terms energy: -57.572947
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: 1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -105.806207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.806207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.806207 (E_RNA)
where:
Base-Base interactions energy: -43.560
where: short stacking energy: -35.581
Base-Backbone interact. energy: 0.183
local terms energy: -62.429108
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -7.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -89.182513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.182513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.182513 (E_RNA)
where:
Base-Base interactions energy: -45.003
where: short stacking energy: -30.422
Base-Backbone interact. energy: -0.175
local terms energy: -44.003855
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -7.903
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -309.991233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.991233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.991233 (E_RNA)
where:
Base-Base interactions energy: -216.977
where: short stacking energy: -87.264
Base-Backbone interact. energy: -0.106
local terms energy: -92.907481
where:
bonds (distance) C4'-P energy: -20.812
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -28.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -288.622845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.622845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.622845 (E_RNA)
where:
Base-Base interactions energy: -202.216
where: short stacking energy: -75.853
Base-Backbone interact. energy: 0.569
local terms energy: -86.976764
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -23.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -281.066494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.066494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.066494 (E_RNA)
where:
Base-Base interactions energy: -187.455
where: short stacking energy: -77.859
Base-Backbone interact. energy: -0.013
local terms energy: -93.598545
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -24.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -286.051549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.051549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.051549 (E_RNA)
where:
Base-Base interactions energy: -201.900
where: short stacking energy: -82.428
Base-Backbone interact. energy: -0.303
local terms energy: -83.848149
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -23.642
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: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -267.567947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.567947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.567947 (E_RNA)
where:
Base-Base interactions energy: -175.756
where: short stacking energy: -84.734
Base-Backbone interact. energy: -0.530
local terms energy: -91.282273
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -25.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -267.342086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.342086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.342086 (E_RNA)
where:
Base-Base interactions energy: -192.818
where: short stacking energy: -70.393
Base-Backbone interact. energy: 0.706
local terms energy: -75.229545
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -23.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -112.581361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.581361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.581361 (E_RNA)
where:
Base-Base interactions energy: -55.788
where: short stacking energy: -42.352
Base-Backbone interact. energy: -0.111
local terms energy: -56.682682
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -7.470
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -6.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -98.487872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.487872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.487872 (E_RNA)
where:
Base-Base interactions energy: -47.089
where: short stacking energy: -37.496
Base-Backbone interact. energy: -0.055
local terms energy: -51.343406
where:
bonds (distance) C4'-P energy: -8.838
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -97.549607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.549607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.549607 (E_RNA)
where:
Base-Base interactions energy: -46.927
where: short stacking energy: -27.378
Base-Backbone interact. energy: -0.552
local terms energy: -50.070446
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: 0.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -98.871272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.871272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.871272 (E_RNA)
where:
Base-Base interactions energy: -44.996
where: short stacking energy: -21.900
Base-Backbone interact. energy: 0.072
local terms energy: -53.946652
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: 2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -299.795995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.795995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.795995 (E_RNA)
where:
Base-Base interactions energy: -204.238
where: short stacking energy: -85.961
Base-Backbone interact. energy: -0.105
local terms energy: -95.453515
where:
bonds (distance) C4'-P energy: -18.953
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -24.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -287.812525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.812525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.812525 (E_RNA)
where:
Base-Base interactions energy: -193.840
where: short stacking energy: -81.912
Base-Backbone interact. energy: -0.589
local terms energy: -93.383637
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -22.993
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: 8
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -281.413962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.413962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.413962 (E_RNA)
where:
Base-Base interactions energy: -191.695
where: short stacking energy: -75.013
Base-Backbone interact. energy: 0.666
local terms energy: -90.385532
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -22.014
flat angles P-C4'-P energy: -10.836
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: 4, replica: 10
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -274.598980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.598980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.598980 (E_RNA)
where:
Base-Base interactions energy: -183.342
where: short stacking energy: -79.034
Base-Backbone interact. energy: -0.002
local terms energy: -91.254699
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -10.786
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: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -241.317773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.317773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.317773 (E_RNA)
where:
Base-Base interactions energy: -149.733
where: short stacking energy: -75.027
Base-Backbone interact. energy: -0.819
local terms energy: -90.766350
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -27.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -270.821930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.821930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.821930 (E_RNA)
where:
Base-Base interactions energy: -184.566
where: short stacking energy: -83.985
Base-Backbone interact. energy: -0.084
local terms energy: -86.172250
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -23.769
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: 7, replica: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -105.208531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.208531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.208531 (E_RNA)
where:
Base-Base interactions energy: -41.683
where: short stacking energy: -39.610
Base-Backbone interact. energy: -0.194
local terms energy: -63.331121
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: -2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -113.949216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.949216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.949216 (E_RNA)
where:
Base-Base interactions energy: -41.426
where: short stacking energy: -34.565
Base-Backbone interact. energy: -1.105
local terms energy: -71.417678
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -9.190
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: 2
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -97.685823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.685823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.685823 (E_RNA)
where:
Base-Base interactions energy: -31.477
where: short stacking energy: -21.929
Base-Backbone interact. energy: 1.668
local terms energy: -67.877124
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -13.658
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: 10, replica: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -105.736430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.736430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.736430 (E_RNA)
where:
Base-Base interactions energy: -50.999
where: short stacking energy: -26.146
Base-Backbone interact. energy: -0.080
local terms energy: -54.657634
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: 1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -294.263425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.263425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.263425 (E_RNA)
where:
Base-Base interactions energy: -203.156
where: short stacking energy: -83.725
Base-Backbone interact. energy: -0.104
local terms energy: -91.002982
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -23.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -290.685850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.685850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.685850 (E_RNA)
where:
Base-Base interactions energy: -209.902
where: short stacking energy: -90.270
Base-Backbone interact. energy: -0.011
local terms energy: -80.772690
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -9.927
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: 3, replica: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -283.535487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.535487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.535487 (E_RNA)
where:
Base-Base interactions energy: -191.641
where: short stacking energy: -82.888
Base-Backbone interact. energy: -0.265
local terms energy: -91.629808
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -24.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -276.630144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.630144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.630144 (E_RNA)
where:
Base-Base interactions energy: -193.790
where: short stacking energy: -69.953
Base-Backbone interact. energy: 0.157
local terms energy: -82.997497
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -263.621386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.621386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.621386 (E_RNA)
where:
Base-Base interactions energy: -187.351
where: short stacking energy: -78.096
Base-Backbone interact. energy: -0.044
local terms energy: -76.226400
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -13.236
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: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -272.915039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.915039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.915039 (E_RNA)
where:
Base-Base interactions energy: -185.053
where: short stacking energy: -82.797
Base-Backbone interact. energy: -0.099
local terms energy: -87.762517
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -21.946
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: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -108.166301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.166301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.166301 (E_RNA)
where:
Base-Base interactions energy: -49.433
where: short stacking energy: -44.346
Base-Backbone interact. energy: -0.011
local terms energy: -58.722234
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -9.271
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -100.793835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.793835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.793835 (E_RNA)
where:
Base-Base interactions energy: -42.563
where: short stacking energy: -23.057
Base-Backbone interact. energy: -0.354
local terms energy: -57.877083
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -100.611316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.611316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.611316 (E_RNA)
where:
Base-Base interactions energy: -45.152
where: short stacking energy: -17.475
Base-Backbone interact. energy: -0.155
local terms energy: -55.304388
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -0.522
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: 10, replica: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -83.941791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.941791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.941791 (E_RNA)
where:
Base-Base interactions energy: -25.882
where: short stacking energy: -25.882
Base-Backbone interact. energy: -0.380
local terms energy: -57.679354
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -9.482
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: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -291.592030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.592030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.592030 (E_RNA)
where:
Base-Base interactions energy: -197.193
where: short stacking energy: -94.765
Base-Backbone interact. energy: -0.117
local terms energy: -94.281553
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -21.810
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -25.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -286.522595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.522595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.522595 (E_RNA)
where:
Base-Base interactions energy: -201.760
where: short stacking energy: -89.139
Base-Backbone interact. energy: -0.062
local terms energy: -84.700788
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -25.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -275.128504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.128504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.128504 (E_RNA)
where:
Base-Base interactions energy: -181.110
where: short stacking energy: -82.241
Base-Backbone interact. energy: -0.120
local terms energy: -93.899389
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -22.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -281.159385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.159385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.159385 (E_RNA)
where:
Base-Base interactions energy: -189.958
where: short stacking energy: -76.024
Base-Backbone interact. energy: -0.218
local terms energy: -90.983182
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -19.648
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -25.257
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: 5, replica: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -251.120350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.120350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.120350 (E_RNA)
where:
Base-Base interactions energy: -166.216
where: short stacking energy: -72.165
Base-Backbone interact. energy: 0.702
local terms energy: -85.606362
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -21.062
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -19.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -256.220568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.220568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.220568 (E_RNA)
where:
Base-Base interactions energy: -167.764
where: short stacking energy: -79.198
Base-Backbone interact. energy: -0.014
local terms energy: -88.442694
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -23.743
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: 7, replica: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -108.333545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.333545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.333545 (E_RNA)
where:
Base-Base interactions energy: -42.831
where: short stacking energy: -38.746
Base-Backbone interact. energy: -0.452
local terms energy: -65.051382
where:
bonds (distance) C4'-P energy: -8.681
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -8.465
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: 2
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -105.540868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.540868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.540868 (E_RNA)
where:
Base-Base interactions energy: -36.187
where: short stacking energy: -32.143
Base-Backbone interact. energy: -0.092
local terms energy: -69.261880
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -10.107
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: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -95.834187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.834187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.834187 (E_RNA)
where:
Base-Base interactions energy: -39.806
where: short stacking energy: -29.155
Base-Backbone interact. energy: -0.711
local terms energy: -55.317374
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: 0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -85.338606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.338606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.338606 (E_RNA)
where:
Base-Base interactions energy: -32.155
where: short stacking energy: -30.038
Base-Backbone interact. energy: 0.764
local terms energy: -53.947138
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -286.828920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.828920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.828920 (E_RNA)
where:
Base-Base interactions energy: -191.058
where: short stacking energy: -88.039
Base-Backbone interact. energy: -0.102
local terms energy: -95.668626
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -22.154
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -23.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -278.732852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.732852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.732852 (E_RNA)
where:
Base-Base interactions energy: -190.440
where: short stacking energy: -73.005
Base-Backbone interact. energy: -0.079
local terms energy: -88.213052
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -21.546
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -18.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -279.676398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.676398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.676398 (E_RNA)
where:
Base-Base interactions energy: -187.756
where: short stacking energy: -81.494
Base-Backbone interact. energy: 0.487
local terms energy: -92.408135
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -23.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -280.605746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.605746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.605746 (E_RNA)
where:
Base-Base interactions energy: -192.202
where: short stacking energy: -75.292
Base-Backbone interact. energy: -0.085
local terms energy: -88.318595
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -20.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -254.400760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.400760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.400760 (E_RNA)
where:
Base-Base interactions energy: -168.379
where: short stacking energy: -67.150
Base-Backbone interact. energy: -0.064
local terms energy: -85.958116
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -17.245
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: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -242.354910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.354910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.354910 (E_RNA)
where:
Base-Base interactions energy: -168.229
where: short stacking energy: -83.648
Base-Backbone interact. energy: -0.082
local terms energy: -74.043801
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -105.548091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.548091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.548091 (E_RNA)
where:
Base-Base interactions energy: -31.872
where: short stacking energy: -31.086
Base-Backbone interact. energy: -0.853
local terms energy: -72.823247
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -8.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -95.152622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.152622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.152622 (E_RNA)
where:
Base-Base interactions energy: -41.508
where: short stacking energy: -26.717
Base-Backbone interact. energy: -0.333
local terms energy: -53.311933
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: 4.799
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: 9, replica: 6
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -87.787890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.787890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.787890 (E_RNA)
where:
Base-Base interactions energy: -28.761
where: short stacking energy: -27.588
Base-Backbone interact. energy: -0.824
local terms energy: -58.203435
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -91.031162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.031162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.031162 (E_RNA)
where:
Base-Base interactions energy: -24.869
where: short stacking energy: -22.894
Base-Backbone interact. energy: -0.188
local terms energy: -65.974576
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -0.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -289.001165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.001165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.001165 (E_RNA)
where:
Base-Base interactions energy: -192.561
where: short stacking energy: -91.420
Base-Backbone interact. energy: -0.079
local terms energy: -96.361115
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -22.807
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -29.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -290.782674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.782674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.782674 (E_RNA)
where:
Base-Base interactions energy: -191.415
where: short stacking energy: -82.632
Base-Backbone interact. energy: -1.957
local terms energy: -97.410760
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -21.963
flat angles P-C4'-P energy: -16.136
tors. eta vs tors. theta energy: -23.607
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: 3, replica: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -284.879241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.879241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.879241 (E_RNA)
where:
Base-Base interactions energy: -196.683
where: short stacking energy: -83.045
Base-Backbone interact. energy: -0.151
local terms energy: -88.045551
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -21.208
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -22.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -282.419852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.419852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.419852 (E_RNA)
where:
Base-Base interactions energy: -192.872
where: short stacking energy: -83.445
Base-Backbone interact. energy: -0.381
local terms energy: -89.165882
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -25.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -250.086201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.086201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.086201 (E_RNA)
where:
Base-Base interactions energy: -167.737
where: short stacking energy: -61.750
Base-Backbone interact. energy: -0.110
local terms energy: -82.239547
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -258.342505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.342505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.342505 (E_RNA)
where:
Base-Base interactions energy: -178.354
where: short stacking energy: -77.033
Base-Backbone interact. energy: -0.030
local terms energy: -79.958383
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -21.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -109.023354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.023354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.023354 (E_RNA)
where:
Base-Base interactions energy: -46.344
where: short stacking energy: -38.482
Base-Backbone interact. energy: -0.266
local terms energy: -62.413180
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -7.139
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: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -103.345021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.345021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.345021 (E_RNA)
where:
Base-Base interactions energy: -45.587
where: short stacking energy: -45.587
Base-Backbone interact. energy: -0.833
local terms energy: -56.925730
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -6.985
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -11.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -116.017462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.017462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.017462 (E_RNA)
where:
Base-Base interactions energy: -44.618
where: short stacking energy: -23.545
Base-Backbone interact. energy: -0.660
local terms energy: -70.738986
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -19.092
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -86.919494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.919494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.919494 (E_RNA)
where:
Base-Base interactions energy: -30.695
where: short stacking energy: -23.964
Base-Backbone interact. energy: -0.267
local terms energy: -55.957261
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -0.935
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: 10
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -299.568560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.568560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.568560 (E_RNA)
where:
Base-Base interactions energy: -205.833
where: short stacking energy: -84.564
Base-Backbone interact. energy: -0.084
local terms energy: -93.651714
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -26.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -290.581215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.581215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.581215 (E_RNA)
where:
Base-Base interactions energy: -183.359
where: short stacking energy: -85.498
Base-Backbone interact. energy: -0.442
local terms energy: -106.780369
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -22.205
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -29.361
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: 3, replica: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -280.736698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.736698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.736698 (E_RNA)
where:
Base-Base interactions energy: -190.558
where: short stacking energy: -77.264
Base-Backbone interact. energy: -0.151
local terms energy: -90.027938
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -25.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -281.341498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.341498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.341498 (E_RNA)
where:
Base-Base interactions energy: -189.706
where: short stacking energy: -78.180
Base-Backbone interact. energy: -0.100
local terms energy: -91.535667
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -19.211
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -22.474
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: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -262.106479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.106479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.106479 (E_RNA)
where:
Base-Base interactions energy: -180.286
where: short stacking energy: -81.259
Base-Backbone interact. energy: -0.627
local terms energy: -81.193092
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -12.667
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: 6, replica: 1
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -245.252366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.252366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.252366 (E_RNA)
where:
Base-Base interactions energy: -148.176
where: short stacking energy: -68.556
Base-Backbone interact. energy: -0.897
local terms energy: -96.179554
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -17.030
tors. eta vs tors. theta energy: -22.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -103.334136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.334136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.334136 (E_RNA)
where:
Base-Base interactions energy: -39.328
where: short stacking energy: -39.328
Base-Backbone interact. energy: -0.039
local terms energy: -63.966962
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -6.613
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: 8, replica: 2
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -97.488797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.488797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.488797 (E_RNA)
where:
Base-Base interactions energy: -36.037
where: short stacking energy: -31.575
Base-Backbone interact. energy: -0.149
local terms energy: -61.303133
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -6.295
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: 9, replica: 4
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -97.021242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.021242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.021242 (E_RNA)
where:
Base-Base interactions energy: -46.109
where: short stacking energy: -30.511
Base-Backbone interact. energy: -0.355
local terms energy: -50.557100
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: 0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -81.358403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.358403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.358403 (E_RNA)
where:
Base-Base interactions energy: -19.815
where: short stacking energy: -18.888
Base-Backbone interact. energy: -0.040
local terms energy: -61.503803
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -0.787
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: 10
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -301.781927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.781927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.781927 (E_RNA)
where:
Base-Base interactions energy: -210.080
where: short stacking energy: -84.148
Base-Backbone interact. energy: -0.189
local terms energy: -91.513158
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -13.645
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: 2, replica: 7
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -280.077812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.077812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.077812 (E_RNA)
where:
Base-Base interactions energy: -186.890
where: short stacking energy: -74.419
Base-Backbone interact. energy: -0.177
local terms energy: -93.011094
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -12.616
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: 3, replica: 8
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -281.456280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.456280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.456280 (E_RNA)
where:
Base-Base interactions energy: -199.569
where: short stacking energy: -80.223
Base-Backbone interact. energy: -0.418
local terms energy: -81.468454
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -22.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -256.574434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.574434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.574434 (E_RNA)
where:
Base-Base interactions energy: -169.512
where: short stacking energy: -76.267
Base-Backbone interact. energy: -0.004
local terms energy: -87.059125
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -24.033
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: 3
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -276.549857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.549857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.549857 (E_RNA)
where:
Base-Base interactions energy: -185.667
where: short stacking energy: -83.643
Base-Backbone interact. energy: 0.012
local terms energy: -90.895162
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -22.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -226.317202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.317202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.317202 (E_RNA)
where:
Base-Base interactions energy: -144.088
where: short stacking energy: -66.496
Base-Backbone interact. energy: -0.069
local terms energy: -82.160189
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -19.750
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: 6
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -96.750757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.750757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.750757 (E_RNA)
where:
Base-Base interactions energy: -30.060
where: short stacking energy: -30.060
Base-Backbone interact. energy: -0.357
local terms energy: -66.334409
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -110.001577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.001577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.001577 (E_RNA)
where:
Base-Base interactions energy: -52.124
where: short stacking energy: -41.048
Base-Backbone interact. energy: 0.297
local terms energy: -58.174248
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -9.351
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -2.770
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: 479
Temperature: 1.300000
Total energy: -122.859998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.859998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.859998 (E_RNA)
where:
Base-Base interactions energy: -63.604
where: short stacking energy: -29.476
Base-Backbone interact. energy: -0.208
local terms energy: -59.047597
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -0.936
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: 10, replica: 9
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -90.454296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.454296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.454296 (E_RNA)
where:
Base-Base interactions energy: -32.253
where: short stacking energy: -31.327
Base-Backbone interact. energy: 0.023
local terms energy: -58.224772
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -7.894
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: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -294.310603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.310603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.310603 (E_RNA)
where:
Base-Base interactions energy: -200.129
where: short stacking energy: -75.668
Base-Backbone interact. energy: -0.599
local terms energy: -93.582371
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -287.957887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.957887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.957887 (E_RNA)
where:
Base-Base interactions energy: -197.577
where: short stacking energy: -84.568
Base-Backbone interact. energy: -0.126
local terms energy: -90.255235
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -24.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -285.782900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.782900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.782900 (E_RNA)
where:
Base-Base interactions energy: -186.095
where: short stacking energy: -87.139
Base-Backbone interact. energy: -0.007
local terms energy: -99.681034
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -27.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -276.893094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.893094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.893094 (E_RNA)
where:
Base-Base interactions energy: -190.300
where: short stacking energy: -68.481
Base-Backbone interact. energy: -0.320
local terms energy: -86.272660
where:
bonds (distance) C4'-P energy: -18.125
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -22.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -273.892719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.892719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.892719 (E_RNA)
where:
Base-Base interactions energy: -188.009
where: short stacking energy: -72.465
Base-Backbone interact. energy: -0.002
local terms energy: -85.881755
where:
bonds (distance) C4'-P energy: -18.891
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -258.471826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.471826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.471826 (E_RNA)
where:
Base-Base interactions energy: -169.483
where: short stacking energy: -76.923
Base-Backbone interact. energy: -1.236
local terms energy: -87.752956
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -22.468
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: 6
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -120.038139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.038139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.038139 (E_RNA)
where:
Base-Base interactions energy: -53.784
where: short stacking energy: -26.409
Base-Backbone interact. energy: -0.371
local terms energy: -65.883718
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -2.489
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: 2
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -96.544670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.544670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.544670 (E_RNA)
where:
Base-Base interactions energy: -28.828
where: short stacking energy: -26.095
Base-Backbone interact. energy: -0.097
local terms energy: -67.619395
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -6.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -90.755623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.755623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.755623 (E_RNA)
where:
Base-Base interactions energy: -33.525
where: short stacking energy: -33.525
Base-Backbone interact. energy: -0.141
local terms energy: -57.088917
where:
bonds (distance) C4'-P energy: -19.918
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -103.156214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.156214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.156214 (E_RNA)
where:
Base-Base interactions energy: -43.216
where: short stacking energy: -29.745
Base-Backbone interact. energy: -0.477
local terms energy: -59.463370
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -0.650
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: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -293.269263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.269263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.269263 (E_RNA)
where:
Base-Base interactions energy: -196.000
where: short stacking energy: -88.154
Base-Backbone interact. energy: -0.009
local terms energy: -97.259508
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -27.003
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: 5
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -289.336008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.336008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.336008 (E_RNA)
where:
Base-Base interactions energy: -198.700
where: short stacking energy: -89.138
Base-Backbone interact. energy: -0.038
local terms energy: -90.597406
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -19.870
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -25.141
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: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -288.336167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.336167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.336167 (E_RNA)
where:
Base-Base interactions energy: -194.416
where: short stacking energy: -86.650
Base-Backbone interact. energy: -0.089
local terms energy: -93.830901
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -23.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -280.644516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.644516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.644516 (E_RNA)
where:
Base-Base interactions energy: -196.829
where: short stacking energy: -81.725
Base-Backbone interact. energy: -0.062
local terms energy: -83.753806
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -21.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -269.479053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.479053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.479053 (E_RNA)
where:
Base-Base interactions energy: -186.602
where: short stacking energy: -66.976
Base-Backbone interact. energy: -0.224
local terms energy: -82.652868
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -19.323
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -3.229
tors. eta vs tors. theta energy: -24.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -261.893658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.893658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.893658 (E_RNA)
where:
Base-Base interactions energy: -169.082
where: short stacking energy: -76.144
Base-Backbone interact. energy: -0.101
local terms energy: -92.710570
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -28.829
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: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -105.217176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.217176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.217176 (E_RNA)
where:
Base-Base interactions energy: -41.148
where: short stacking energy: -31.412
Base-Backbone interact. energy: -0.164
local terms energy: -63.904578
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -20.419
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -3.868
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: 2
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -100.529260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.529260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.529260 (E_RNA)
where:
Base-Base interactions energy: -44.374
where: short stacking energy: -37.833
Base-Backbone interact. energy: -0.263
local terms energy: -55.892144
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -0.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -102.632377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.632377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.632377 (E_RNA)
where:
Base-Base interactions energy: -53.258
where: short stacking energy: -40.496
Base-Backbone interact. energy: -0.615
local terms energy: -48.759968
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -1.276
tors. eta vs tors. theta energy: -4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -80.747718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.747718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.747718 (E_RNA)
where:
Base-Base interactions energy: -30.610
where: short stacking energy: -30.610
Base-Backbone interact. energy: -0.119
local terms energy: -50.018304
where:
bonds (distance) C4'-P energy: -8.241
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -294.395463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.395463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.395463 (E_RNA)
where:
Base-Base interactions energy: -198.340
where: short stacking energy: -80.864
Base-Backbone interact. energy: -0.037
local terms energy: -96.018683
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -26.835
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: 7
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -287.344493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.344493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.344493 (E_RNA)
where:
Base-Base interactions energy: -193.063
where: short stacking energy: -82.353
Base-Backbone interact. energy: -0.400
local terms energy: -93.881248
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -27.291
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: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -283.075278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.075278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.075278 (E_RNA)
where:
Base-Base interactions energy: -196.823
where: short stacking energy: -83.016
Base-Backbone interact. energy: -0.285
local terms energy: -85.966951
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -23.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -275.153398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.153398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.153398 (E_RNA)
where:
Base-Base interactions energy: -181.907
where: short stacking energy: -72.558
Base-Backbone interact. energy: 0.333
local terms energy: -93.579401
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -11.579
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: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -272.924666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.924666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.924666 (E_RNA)
where:
Base-Base interactions energy: -181.848
where: short stacking energy: -82.554
Base-Backbone interact. energy: 1.820
local terms energy: -92.896385
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -24.844
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: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -265.022158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.022158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.022158 (E_RNA)
where:
Base-Base interactions energy: -173.159
where: short stacking energy: -66.996
Base-Backbone interact. energy: -0.370
local terms energy: -91.493246
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -19.295
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -25.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -111.608166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.608166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.608166 (E_RNA)
where:
Base-Base interactions energy: -53.793
where: short stacking energy: -44.767
Base-Backbone interact. energy: -0.166
local terms energy: -57.648572
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -2.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -112.648350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.648350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.648350 (E_RNA)
where:
Base-Base interactions energy: -53.467
where: short stacking energy: -38.577
Base-Backbone interact. energy: 0.843
local terms energy: -60.023983
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -0.376
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: 4
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -94.518125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.518125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.518125 (E_RNA)
where:
Base-Base interactions energy: -38.993
where: short stacking energy: -24.975
Base-Backbone interact. energy: -0.401
local terms energy: -55.123602
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: 0.977
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: 9
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -89.279413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.279413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.279413 (E_RNA)
where:
Base-Base interactions energy: -27.005
where: short stacking energy: -20.762
Base-Backbone interact. energy: -0.345
local terms energy: -61.929572
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -290.776442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.776442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.776442 (E_RNA)
where:
Base-Base interactions energy: -200.085
where: short stacking energy: -88.715
Base-Backbone interact. energy: -0.020
local terms energy: -90.672186
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -23.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -280.056859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.056859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.056859 (E_RNA)
where:
Base-Base interactions energy: -183.495
where: short stacking energy: -83.312
Base-Backbone interact. energy: -0.179
local terms energy: -96.382686
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -26.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -282.377580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.377580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.377580 (E_RNA)
where:
Base-Base interactions energy: -189.604
where: short stacking energy: -88.649
Base-Backbone interact. energy: -0.098
local terms energy: -92.675431
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -26.904
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: 10
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -271.505289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.505289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.505289 (E_RNA)
where:
Base-Base interactions energy: -185.485
where: short stacking energy: -77.821
Base-Backbone interact. energy: -0.084
local terms energy: -85.935720
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -21.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -270.546903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.546903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.546903 (E_RNA)
where:
Base-Base interactions energy: -188.504
where: short stacking energy: -71.342
Base-Backbone interact. energy: -0.730
local terms energy: -81.312073
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -16.105
tors. eta vs tors. theta energy: -20.561
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: 483
Temperature: 1.150000
Total energy: -261.217407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.217407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.217407 (E_RNA)
where:
Base-Base interactions energy: -187.999
where: short stacking energy: -73.923
Base-Backbone interact. energy: 0.024
local terms energy: -73.242000
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -21.336
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: 7, replica: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -117.938956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.938956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.938956 (E_RNA)
where:
Base-Base interactions energy: -48.721
where: short stacking energy: -44.853
Base-Backbone interact. energy: -1.903
local terms energy: -67.315751
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -6.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -112.326738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.326738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.326738 (E_RNA)
where:
Base-Base interactions energy: -54.470
where: short stacking energy: -49.638
Base-Backbone interact. energy: -0.098
local terms energy: -57.758969
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -5.727
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: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -95.162852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.162852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.162852 (E_RNA)
where:
Base-Base interactions energy: -40.968
where: short stacking energy: -40.374
Base-Backbone interact. energy: -0.352
local terms energy: -53.842864
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -5.678
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -8.896
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: 10, replica: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -84.625470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.625470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.625470 (E_RNA)
where:
Base-Base interactions energy: -30.841
where: short stacking energy: -25.722
Base-Backbone interact. energy: -1.289
local terms energy: -52.496079
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: 1.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -300.409658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.409658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.409658 (E_RNA)
where:
Base-Base interactions energy: -200.248
where: short stacking energy: -84.603
Base-Backbone interact. energy: -0.119
local terms energy: -100.043021
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -26.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -286.866164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.866164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.866164 (E_RNA)
where:
Base-Base interactions energy: -194.259
where: short stacking energy: -88.966
Base-Backbone interact. energy: -0.122
local terms energy: -92.485065
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -26.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -285.552000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.552000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.552000 (E_RNA)
where:
Base-Base interactions energy: -192.889
where: short stacking energy: -85.344
Base-Backbone interact. energy: -0.002
local terms energy: -92.661496
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -25.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -286.590472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.590472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.590472 (E_RNA)
where:
Base-Base interactions energy: -194.046
where: short stacking energy: -83.264
Base-Backbone interact. energy: -0.070
local terms energy: -92.473844
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -26.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -261.312269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.312269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.312269 (E_RNA)
where:
Base-Base interactions energy: -177.873
where: short stacking energy: -67.043
Base-Backbone interact. energy: -0.536
local terms energy: -82.903223
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -22.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -249.309447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.309447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.309447 (E_RNA)
where:
Base-Base interactions energy: -166.805
where: short stacking energy: -69.942
Base-Backbone interact. energy: -0.026
local terms energy: -82.478257
where:
bonds (distance) C4'-P energy: -18.738
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -24.042
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: 4
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -115.975998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.975998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.975998 (E_RNA)
where:
Base-Base interactions energy: -56.501
where: short stacking energy: -36.986
Base-Backbone interact. energy: -0.185
local terms energy: -59.289998
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -2.015
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: 2
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -94.869507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.869507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.869507 (E_RNA)
where:
Base-Base interactions energy: -31.563
where: short stacking energy: -28.864
Base-Backbone interact. energy: 0.262
local terms energy: -63.568122
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -97.369825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.369825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.369825 (E_RNA)
where:
Base-Base interactions energy: -45.509
where: short stacking energy: -31.839
Base-Backbone interact. energy: -0.492
local terms energy: -51.369159
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -5.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -89.822450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.822450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.822450 (E_RNA)
where:
Base-Base interactions energy: -29.153
where: short stacking energy: -29.043
Base-Backbone interact. energy: -1.253
local terms energy: -59.416612
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -9.482
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -7.517
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: 5
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -291.013129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.013129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.013129 (E_RNA)
where:
Base-Base interactions energy: -192.558
where: short stacking energy: -90.903
Base-Backbone interact. energy: -0.002
local terms energy: -98.452416
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -18.247
tors. eta vs tors. theta energy: -24.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -276.692682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.692682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.692682 (E_RNA)
where:
Base-Base interactions energy: -183.186
where: short stacking energy: -78.677
Base-Backbone interact. energy: -0.085
local terms energy: -93.421777
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -24.647
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: 7
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -288.510293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.510293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.510293 (E_RNA)
where:
Base-Base interactions energy: -187.644
where: short stacking energy: -89.382
Base-Backbone interact. energy: -0.648
local terms energy: -100.218997
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -28.669
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: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -265.450828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.450828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.450828 (E_RNA)
where:
Base-Base interactions energy: -177.306
where: short stacking energy: -80.160
Base-Backbone interact. energy: -0.037
local terms energy: -88.107893
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -25.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -281.216218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.216218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.216218 (E_RNA)
where:
Base-Base interactions energy: -187.920
where: short stacking energy: -77.342
Base-Backbone interact. energy: -0.704
local terms energy: -92.591287
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -23.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -238.281951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.281951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.281951 (E_RNA)
where:
Base-Base interactions energy: -147.108
where: short stacking energy: -67.552
Base-Backbone interact. energy: 0.344
local terms energy: -91.517913
where:
bonds (distance) C4'-P energy: -20.475
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: -20.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -119.410638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.410638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.410638 (E_RNA)
where:
Base-Base interactions energy: -41.755
where: short stacking energy: -33.897
Base-Backbone interact. energy: -0.128
local terms energy: -77.527233
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -6.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -95.282109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.282109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.282109 (E_RNA)
where:
Base-Base interactions energy: -36.567
where: short stacking energy: -22.413
Base-Backbone interact. energy: 2.295
local terms energy: -61.009668
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -101.149867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.149867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.149867 (E_RNA)
where:
Base-Base interactions energy: -45.804
where: short stacking energy: -29.205
Base-Backbone interact. energy: -0.107
local terms energy: -55.238202
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: 2.298
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: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -86.409596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.409596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.409596 (E_RNA)
where:
Base-Base interactions energy: -25.136
where: short stacking energy: -24.625
Base-Backbone interact. energy: -1.148
local terms energy: -60.125353
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -11.298
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: 1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -290.196236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.196236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.196236 (E_RNA)
where:
Base-Base interactions energy: -188.477
where: short stacking energy: -85.569
Base-Backbone interact. energy: -0.036
local terms energy: -101.682975
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -26.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -289.147920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.147920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.147920 (E_RNA)
where:
Base-Base interactions energy: -186.384
where: short stacking energy: -88.672
Base-Backbone interact. energy: 0.117
local terms energy: -102.881469
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -15.220
tors. eta vs tors. theta energy: -28.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -280.321097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.321097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.321097 (E_RNA)
where:
Base-Base interactions energy: -197.083
where: short stacking energy: -77.292
Base-Backbone interact. energy: -0.215
local terms energy: -83.023353
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -238.017344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.017344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.017344 (E_RNA)
where:
Base-Base interactions energy: -166.049
where: short stacking energy: -64.318
Base-Backbone interact. energy: -1.394
local terms energy: -70.574464
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -12.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -258.385504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.385504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.385504 (E_RNA)
where:
Base-Base interactions energy: -176.580
where: short stacking energy: -67.906
Base-Backbone interact. energy: -0.072
local terms energy: -81.733099
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -21.458
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: 6, replica: 1
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -229.105591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.105591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.105591 (E_RNA)
where:
Base-Base interactions energy: -154.205
where: short stacking energy: -71.729
Base-Backbone interact. energy: -1.735
local terms energy: -73.165857
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -106.332293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.332293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.332293 (E_RNA)
where:
Base-Base interactions energy: -36.799
where: short stacking energy: -35.575
Base-Backbone interact. energy: -0.140
local terms energy: -69.393700
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -3.835
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: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -103.012180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.012180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.012180 (E_RNA)
where:
Base-Base interactions energy: -50.907
where: short stacking energy: -34.042
Base-Backbone interact. energy: -0.032
local terms energy: -52.072666
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -5.959
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -1.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -93.218628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.218628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.218628 (E_RNA)
where:
Base-Base interactions energy: -32.592
where: short stacking energy: -32.575
Base-Backbone interact. energy: -0.328
local terms energy: -60.298680
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -84.324760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.324760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.324760 (E_RNA)
where:
Base-Base interactions energy: -36.798
where: short stacking energy: -33.045
Base-Backbone interact. energy: -0.223
local terms energy: -47.303872
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -8.788
flat angles P-C4'-P energy: -8.997
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: 487
Temperature: 0.900000
Total energy: -301.146531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.146531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.146531 (E_RNA)
where:
Base-Base interactions energy: -206.715
where: short stacking energy: -85.663
Base-Backbone interact. energy: -0.058
local terms energy: -94.373167
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -25.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -286.759347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.759347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.759347 (E_RNA)
where:
Base-Base interactions energy: -201.587
where: short stacking energy: -72.967
Base-Backbone interact. energy: -0.102
local terms energy: -85.069899
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -19.771
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -21.798
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: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -278.494232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.494232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.494232 (E_RNA)
where:
Base-Base interactions energy: -185.216
where: short stacking energy: -81.227
Base-Backbone interact. energy: -0.003
local terms energy: -93.274467
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -13.787
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: 4, replica: 10
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -281.336608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.336608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.336608 (E_RNA)
where:
Base-Base interactions energy: -194.451
where: short stacking energy: -83.159
Base-Backbone interact. energy: -0.111
local terms energy: -86.775073
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: -23.323
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: 5, replica: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -243.427519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.427519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.427519 (E_RNA)
where:
Base-Base interactions energy: -165.050
where: short stacking energy: -70.030
Base-Backbone interact. energy: -0.045
local terms energy: -78.332435
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -14.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -238.268006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.268006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.268006 (E_RNA)
where:
Base-Base interactions energy: -153.111
where: short stacking energy: -71.789
Base-Backbone interact. energy: -0.062
local terms energy: -85.094796
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -21.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -106.634436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.634436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.634436 (E_RNA)
where:
Base-Base interactions energy: -31.502
where: short stacking energy: -31.502
Base-Backbone interact. energy: -0.216
local terms energy: -74.915565
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -7.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -100.538069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.538069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.538069 (E_RNA)
where:
Base-Base interactions energy: -46.857
where: short stacking energy: -34.006
Base-Backbone interact. energy: -0.198
local terms energy: -53.483692
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: 2.105
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: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -88.045453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.045453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.045453 (E_RNA)
where:
Base-Base interactions energy: -22.606
where: short stacking energy: -22.527
Base-Backbone interact. energy: -0.255
local terms energy: -65.184218
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -91.948840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.948840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.948840 (E_RNA)
where:
Base-Base interactions energy: -29.376
where: short stacking energy: -23.323
Base-Backbone interact. energy: -0.466
local terms energy: -62.107240
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -0.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -294.715205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.715205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.715205 (E_RNA)
where:
Base-Base interactions energy: -201.091
where: short stacking energy: -82.325
Base-Backbone interact. energy: -0.100
local terms energy: -93.524773
where:
bonds (distance) C4'-P energy: -18.738
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -22.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -284.224677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.224677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.224677 (E_RNA)
where:
Base-Base interactions energy: -197.174
where: short stacking energy: -72.750
Base-Backbone interact. energy: -0.166
local terms energy: -86.884831
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -22.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -275.563285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.563285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.563285 (E_RNA)
where:
Base-Base interactions energy: -183.823
where: short stacking energy: -92.253
Base-Backbone interact. energy: -0.057
local terms energy: -91.683284
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -28.013
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: 10
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -265.416017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.416017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.416017 (E_RNA)
where:
Base-Base interactions energy: -176.310
where: short stacking energy: -75.718
Base-Backbone interact. energy: -0.301
local terms energy: -88.805384
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -18.159
flat angles C4'-P-C4' energy: -21.602
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -23.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -269.878588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.878588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.878588 (E_RNA)
where:
Base-Base interactions energy: -185.220
where: short stacking energy: -75.752
Base-Backbone interact. energy: -0.103
local terms energy: -84.556211
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -13.238
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: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -254.198241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.198241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.198241 (E_RNA)
where:
Base-Base interactions energy: -161.007
where: short stacking energy: -77.999
Base-Backbone interact. energy: -0.051
local terms energy: -93.140506
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -23.959
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: 488
Temperature: 1.200000
Total energy: -110.301593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.301593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.301593 (E_RNA)
where:
Base-Base interactions energy: -50.610
where: short stacking energy: -28.730
Base-Backbone interact. energy: -0.021
local terms energy: -59.671121
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -0.586
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: 8, replica: 6
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -97.469954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.469954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.469954 (E_RNA)
where:
Base-Base interactions energy: -50.963
where: short stacking energy: -36.511
Base-Backbone interact. energy: -0.097
local terms energy: -46.409478
where:
bonds (distance) C4'-P energy: -7.391
bonds (distance) P-C4' energy: -19.512
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: 0.029
tors. eta vs tors. theta energy: -3.946
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: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -91.978738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.978738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.978738 (E_RNA)
where:
Base-Base interactions energy: -32.087
where: short stacking energy: -28.387
Base-Backbone interact. energy: 0.236
local terms energy: -60.128026
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -6.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -88.079807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.079807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.079807 (E_RNA)
where:
Base-Base interactions energy: -32.483
where: short stacking energy: -28.928
Base-Backbone interact. energy: -0.243
local terms energy: -55.353765
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -291.238853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.238853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.238853 (E_RNA)
where:
Base-Base interactions energy: -200.736
where: short stacking energy: -76.922
Base-Backbone interact. energy: -0.058
local terms energy: -90.445626
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -23.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -276.568750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.568750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.568750 (E_RNA)
where:
Base-Base interactions energy: -180.111
where: short stacking energy: -85.032
Base-Backbone interact. energy: -0.048
local terms energy: -96.409857
where:
bonds (distance) C4'-P energy: -18.047
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -16.764
tors. eta vs tors. theta energy: -25.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -281.872313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.872313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.872313 (E_RNA)
where:
Base-Base interactions energy: -189.070
where: short stacking energy: -65.448
Base-Backbone interact. energy: -1.069
local terms energy: -91.733372
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -24.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -258.241096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.241096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.241096 (E_RNA)
where:
Base-Base interactions energy: -179.813
where: short stacking energy: -78.171
Base-Backbone interact. energy: -0.113
local terms energy: -78.315042
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -20.865
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: 489
Temperature: 1.100000
Total energy: -282.080356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.080356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.080356 (E_RNA)
where:
Base-Base interactions energy: -182.302
where: short stacking energy: -85.249
Base-Backbone interact. energy: -0.044
local terms energy: -99.734387
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -21.388
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -28.998
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: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -232.474567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.474567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.474567 (E_RNA)
where:
Base-Base interactions energy: -148.984
where: short stacking energy: -68.869
Base-Backbone interact. energy: -1.032
local terms energy: -82.458411
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -99.500637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.500637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.500637 (E_RNA)
where:
Base-Base interactions energy: -36.624
where: short stacking energy: -30.285
Base-Backbone interact. energy: -0.090
local terms energy: -62.786652
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -2.591
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: 8, replica: 4
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -99.037120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.037120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.037120 (E_RNA)
where:
Base-Base interactions energy: -42.640
where: short stacking energy: -39.545
Base-Backbone interact. energy: 0.019
local terms energy: -56.415955
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -8.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -103.757575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.757575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.757575 (E_RNA)
where:
Base-Base interactions energy: -43.512
where: short stacking energy: -43.512
Base-Backbone interact. energy: -0.079
local terms energy: -60.166502
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -2.976
tors. eta vs tors. theta energy: -6.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -90.985547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.985547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.985547 (E_RNA)
where:
Base-Base interactions energy: -27.244
where: short stacking energy: -27.244
Base-Backbone interact. energy: -0.076
local terms energy: -63.664967
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -286.933139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.933139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.933139 (E_RNA)
where:
Base-Base interactions energy: -191.359
where: short stacking energy: -89.679
Base-Backbone interact. energy: 0.425
local terms energy: -95.999095
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -20.686
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -26.247
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: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -290.808597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.808597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.808597 (E_RNA)
where:
Base-Base interactions energy: -199.678
where: short stacking energy: -85.711
Base-Backbone interact. energy: -0.010
local terms energy: -91.120668
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -22.210
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -25.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -283.788931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.788931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.788931 (E_RNA)
where:
Base-Base interactions energy: -199.390
where: short stacking energy: -77.244
Base-Backbone interact. energy: -0.109
local terms energy: -84.290424
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -21.314
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: 1
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -260.457223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.457223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.457223 (E_RNA)
where:
Base-Base interactions energy: -177.147
where: short stacking energy: -76.678
Base-Backbone interact. energy: -0.042
local terms energy: -83.268847
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -263.007709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.007709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.007709 (E_RNA)
where:
Base-Base interactions energy: -178.489
where: short stacking energy: -75.338
Base-Backbone interact. energy: -0.007
local terms energy: -84.511092
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -21.534
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: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -257.873652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.873652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.873652 (E_RNA)
where:
Base-Base interactions energy: -171.939
where: short stacking energy: -74.560
Base-Backbone interact. energy: -0.016
local terms energy: -85.918571
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -18.789
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -23.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -114.675286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.675286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.675286 (E_RNA)
where:
Base-Base interactions energy: -46.670
where: short stacking energy: -46.670
Base-Backbone interact. energy: 1.430
local terms energy: -69.435346
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -18.099
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -5.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -111.493224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.493224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.493224 (E_RNA)
where:
Base-Base interactions energy: -46.338
where: short stacking energy: -36.639
Base-Backbone interact. energy: -0.362
local terms energy: -64.792912
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -6.037
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: 2
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -102.258311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.258311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.258311 (E_RNA)
where:
Base-Base interactions energy: -39.983
where: short stacking energy: -31.679
Base-Backbone interact. energy: -0.077
local terms energy: -62.197708
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -97.234021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.234021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.234021 (E_RNA)
where:
Base-Base interactions energy: -40.213
where: short stacking energy: -32.175
Base-Backbone interact. energy: -0.136
local terms energy: -56.885197
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -2.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -282.791338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.791338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.791338 (E_RNA)
where:
Base-Base interactions energy: -192.758
where: short stacking energy: -82.573
Base-Backbone interact. energy: -0.068
local terms energy: -89.965214
where:
bonds (distance) C4'-P energy: -19.500
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -20.225
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -19.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -289.831393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.831393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.831393 (E_RNA)
where:
Base-Base interactions energy: -189.277
where: short stacking energy: -80.272
Base-Backbone interact. energy: -0.922
local terms energy: -99.632189
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -28.739
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: 8
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -285.929948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.929948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.929948 (E_RNA)
where:
Base-Base interactions energy: -196.585
where: short stacking energy: -71.846
Base-Backbone interact. energy: -0.342
local terms energy: -89.003485
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -24.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -277.030211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.030211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.030211 (E_RNA)
where:
Base-Base interactions energy: -185.542
where: short stacking energy: -77.114
Base-Backbone interact. energy: -0.680
local terms energy: -90.808982
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -22.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -275.183133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.183133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.183133 (E_RNA)
where:
Base-Base interactions energy: -189.452
where: short stacking energy: -96.899
Base-Backbone interact. energy: -0.011
local terms energy: -85.719303
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -29.625
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: 6, replica: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -246.257492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.257492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.257492 (E_RNA)
where:
Base-Base interactions energy: -163.631
where: short stacking energy: -79.417
Base-Backbone interact. energy: -0.005
local terms energy: -82.621256
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -24.353
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: 4
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -101.246470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.246470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.246470 (E_RNA)
where:
Base-Base interactions energy: -38.498
where: short stacking energy: -30.286
Base-Backbone interact. energy: -0.024
local terms energy: -62.724932
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -105.863178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.863178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.863178 (E_RNA)
where:
Base-Base interactions energy: -49.910
where: short stacking energy: -37.211
Base-Backbone interact. energy: -0.152
local terms energy: -55.800500
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -3.060
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: 2
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -111.038795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.038795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.038795 (E_RNA)
where:
Base-Base interactions energy: -47.748
where: short stacking energy: -41.990
Base-Backbone interact. energy: 0.694
local terms energy: -63.984005
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -10.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -96.655061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.655061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.655061 (E_RNA)
where:
Base-Base interactions energy: -30.335
where: short stacking energy: -29.904
Base-Backbone interact. energy: 1.184
local terms energy: -67.504657
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -4.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -291.574179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.574179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.574179 (E_RNA)
where:
Base-Base interactions energy: -197.863
where: short stacking energy: -83.064
Base-Backbone interact. energy: -0.127
local terms energy: -93.583885
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -22.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -279.767363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.767363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.767363 (E_RNA)
where:
Base-Base interactions energy: -190.645
where: short stacking energy: -84.849
Base-Backbone interact. energy: -0.093
local terms energy: -89.029327
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -24.733
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: 8
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -282.209075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.209075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.209075 (E_RNA)
where:
Base-Base interactions energy: -194.318
where: short stacking energy: -75.241
Base-Backbone interact. energy: 0.808
local terms energy: -88.698990
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -10.019
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: 4, replica: 10
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -276.518779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.518779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.518779 (E_RNA)
where:
Base-Base interactions energy: -180.979
where: short stacking energy: -87.851
Base-Backbone interact. energy: -0.796
local terms energy: -94.743952
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -28.584
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: 492
Temperature: 1.100000
Total energy: -242.630659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.630659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.630659 (E_RNA)
where:
Base-Base interactions energy: -164.607
where: short stacking energy: -81.793
Base-Backbone interact. energy: -1.406
local terms energy: -76.618171
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -22.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -254.494946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.494946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.494946 (E_RNA)
where:
Base-Base interactions energy: -177.347
where: short stacking energy: -73.291
Base-Backbone interact. energy: -0.491
local terms energy: -76.657299
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -21.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -101.802728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.802728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.802728 (E_RNA)
where:
Base-Base interactions energy: -45.787
where: short stacking energy: -40.502
Base-Backbone interact. energy: -0.506
local terms energy: -55.509811
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -6.874
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: 8, replica: 4
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -91.293768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.293768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.293768 (E_RNA)
where:
Base-Base interactions energy: -36.729
where: short stacking energy: -36.729
Base-Backbone interact. energy: -0.148
local terms energy: -54.416671
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -3.477
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -114.438415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.438415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.438415 (E_RNA)
where:
Base-Base interactions energy: -64.026
where: short stacking energy: -25.570
Base-Backbone interact. energy: -0.233
local terms energy: -50.179916
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -3.606
tors. eta vs tors. theta energy: 0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -82.655872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.655872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.655872 (E_RNA)
where:
Base-Base interactions energy: -30.174
where: short stacking energy: -20.968
Base-Backbone interact. energy: -0.108
local terms energy: -52.373809
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -1.930
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: 493
Temperature: 0.900000
Total energy: -299.941185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.941185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.941185 (E_RNA)
where:
Base-Base interactions energy: -205.161
where: short stacking energy: -88.526
Base-Backbone interact. energy: -0.054
local terms energy: -94.726369
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -25.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -282.317710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.317710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.317710 (E_RNA)
where:
Base-Base interactions energy: -189.842
where: short stacking energy: -69.426
Base-Backbone interact. energy: -0.417
local terms energy: -92.058666
where:
bonds (distance) C4'-P energy: -18.912
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -24.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -285.284949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.284949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.284949 (E_RNA)
where:
Base-Base interactions energy: -195.786
where: short stacking energy: -86.620
Base-Backbone interact. energy: -0.047
local terms energy: -89.452089
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -24.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -259.842826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.842826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.842826 (E_RNA)
where:
Base-Base interactions energy: -174.527
where: short stacking energy: -69.860
Base-Backbone interact. energy: -0.030
local terms energy: -85.286629
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -20.308
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: 10
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -260.150104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.150104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.150104 (E_RNA)
where:
Base-Base interactions energy: -172.190
where: short stacking energy: -76.147
Base-Backbone interact. energy: -0.006
local terms energy: -87.953616
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -22.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -255.765626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.765626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.765626 (E_RNA)
where:
Base-Base interactions energy: -173.611
where: short stacking energy: -74.117
Base-Backbone interact. energy: 1.329
local terms energy: -83.483673
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -21.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -109.504551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.504551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.504551 (E_RNA)
where:
Base-Base interactions energy: -47.795
where: short stacking energy: -36.598
Base-Backbone interact. energy: -0.258
local terms energy: -61.450662
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -9.106
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: 6
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -100.460908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.460908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.460908 (E_RNA)
where:
Base-Base interactions energy: -38.999
where: short stacking energy: -29.520
Base-Backbone interact. energy: -0.225
local terms energy: -61.237003
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -105.469748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.469748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.469748 (E_RNA)
where:
Base-Base interactions energy: -45.615
where: short stacking energy: -38.318
Base-Backbone interact. energy: -0.406
local terms energy: -59.449515
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -7.622
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: 10, replica: 2
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -81.739464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.739464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.739464 (E_RNA)
where:
Base-Base interactions energy: -37.935
where: short stacking energy: -25.130
Base-Backbone interact. energy: -0.037
local terms energy: -43.767498
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -9.872
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -5.509
tors. eta vs tors. theta energy: 3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -283.029913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.029913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.029913 (E_RNA)
where:
Base-Base interactions energy: -198.424
where: short stacking energy: -73.797
Base-Backbone interact. energy: -0.105
local terms energy: -84.501500
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -24.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -287.595596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.595596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.595596 (E_RNA)
where:
Base-Base interactions energy: -197.215
where: short stacking energy: -83.136
Base-Backbone interact. energy: -0.291
local terms energy: -90.089983
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -24.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -281.745403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.745403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.745403 (E_RNA)
where:
Base-Base interactions energy: -188.494
where: short stacking energy: -85.402
Base-Backbone interact. energy: -0.099
local terms energy: -93.152308
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -16.451
tors. eta vs tors. theta energy: -24.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -281.451774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.451774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.451774 (E_RNA)
where:
Base-Base interactions energy: -182.282
where: short stacking energy: -91.511
Base-Backbone interact. energy: -0.027
local terms energy: -99.143406
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -24.548
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: 10
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -260.856503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.856503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.856503 (E_RNA)
where:
Base-Base interactions energy: -172.125
where: short stacking energy: -79.904
Base-Backbone interact. energy: -0.463
local terms energy: -88.268729
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -23.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -259.403068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.403068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.403068 (E_RNA)
where:
Base-Base interactions energy: -174.542
where: short stacking energy: -81.256
Base-Backbone interact. energy: -2.871
local terms energy: -81.990536
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -21.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -113.555341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.555341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.555341 (E_RNA)
where:
Base-Base interactions energy: -56.931
where: short stacking energy: -32.590
Base-Backbone interact. energy: -0.243
local terms energy: -56.381812
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -9.664
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -5.045
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: 494
Temperature: 1.250000
Total energy: -97.405685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.405685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.405685 (E_RNA)
where:
Base-Base interactions energy: -37.598
where: short stacking energy: -37.461
Base-Backbone interact. energy: -0.202
local terms energy: -59.606046
where:
bonds (distance) C4'-P energy: -7.342
bonds (distance) P-C4' energy: -21.043
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -8.701
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: 494
Temperature: 1.300000
Total energy: -87.426503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.426503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.426503 (E_RNA)
where:
Base-Base interactions energy: -26.613
where: short stacking energy: -26.613
Base-Backbone interact. energy: 0.267
local terms energy: -61.080537
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -91.319473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.319473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.319473 (E_RNA)
where:
Base-Base interactions energy: -39.254
where: short stacking energy: -31.639
Base-Backbone interact. energy: -0.787
local terms energy: -51.279152
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: 1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -293.899193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.899193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.899193 (E_RNA)
where:
Base-Base interactions energy: -198.049
where: short stacking energy: -77.840
Base-Backbone interact. energy: -0.373
local terms energy: -95.477161
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -25.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -281.346437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.346437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.346437 (E_RNA)
where:
Base-Base interactions energy: -195.301
where: short stacking energy: -78.137
Base-Backbone interact. energy: -0.060
local terms energy: -85.985317
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -21.369
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: 3, replica: 3
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -280.631157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.631157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.631157 (E_RNA)
where:
Base-Base interactions energy: -190.212
where: short stacking energy: -81.419
Base-Backbone interact. energy: -0.696
local terms energy: -89.722969
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -22.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -270.314618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.314618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.314618 (E_RNA)
where:
Base-Base interactions energy: -181.872
where: short stacking energy: -75.629
Base-Backbone interact. energy: -0.324
local terms energy: -88.118735
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -16.940
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -26.436
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: 5, replica: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -266.969256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.969256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.969256 (E_RNA)
where:
Base-Base interactions energy: -180.991
where: short stacking energy: -87.725
Base-Backbone interact. energy: -0.050
local terms energy: -85.928563
where:
bonds (distance) C4'-P energy: -8.316
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -27.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -265.220138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.220138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.220138 (E_RNA)
where:
Base-Base interactions energy: -179.559
where: short stacking energy: -76.118
Base-Backbone interact. energy: -0.020
local terms energy: -85.640619
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -26.642
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: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -127.856830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.856830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.856830 (E_RNA)
where:
Base-Base interactions energy: -56.888
where: short stacking energy: -45.671
Base-Backbone interact. energy: -0.033
local terms energy: -70.935249
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -8.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -103.766413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.766413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.766413 (E_RNA)
where:
Base-Base interactions energy: -42.541
where: short stacking energy: -36.770
Base-Backbone interact. energy: -0.753
local terms energy: -60.472948
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -3.798
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: 9
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -90.597940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.597940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.597940 (E_RNA)
where:
Base-Base interactions energy: -30.730
where: short stacking energy: -30.132
Base-Backbone interact. energy: 0.814
local terms energy: -60.682224
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -90.256008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.256008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.256008 (E_RNA)
where:
Base-Base interactions energy: -37.861
where: short stacking energy: -34.610
Base-Backbone interact. energy: -0.457
local terms energy: -51.937741
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -2.282
tors. eta vs tors. theta energy: -6.910
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: 8
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -295.097702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.097702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.097702 (E_RNA)
where:
Base-Base interactions energy: -203.654
where: short stacking energy: -75.892
Base-Backbone interact. energy: -0.052
local terms energy: -91.391699
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -25.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -294.808332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.808332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.808332 (E_RNA)
where:
Base-Base interactions energy: -198.577
where: short stacking energy: -83.437
Base-Backbone interact. energy: -0.989
local terms energy: -95.241908
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -26.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -289.138944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.138944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.138944 (E_RNA)
where:
Base-Base interactions energy: -185.528
where: short stacking energy: -86.630
Base-Backbone interact. energy: -1.754
local terms energy: -101.857192
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -28.167
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: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -267.401377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.401377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.401377 (E_RNA)
where:
Base-Base interactions energy: -176.649
where: short stacking energy: -77.268
Base-Backbone interact. energy: -0.088
local terms energy: -90.664928
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -26.425
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: 1
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -272.371339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.371339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.371339 (E_RNA)
where:
Base-Base interactions energy: -179.355
where: short stacking energy: -86.665
Base-Backbone interact. energy: -0.014
local terms energy: -93.001675
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -21.981
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -27.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -249.579138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.579138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.579138 (E_RNA)
where:
Base-Base interactions energy: -170.473
where: short stacking energy: -65.608
Base-Backbone interact. energy: -1.050
local terms energy: -78.056597
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -15.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -101.365528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.365528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.365528 (E_RNA)
where:
Base-Base interactions energy: -43.746
where: short stacking energy: -39.295
Base-Backbone interact. energy: 1.700
local terms energy: -59.319102
where:
bonds (distance) C4'-P energy: -4.576
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -11.762
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: 8, replica: 2
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -94.327098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.327098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.327098 (E_RNA)
where:
Base-Base interactions energy: -39.214
where: short stacking energy: -33.347
Base-Backbone interact. energy: 0.246
local terms energy: -55.358872
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -7.497
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: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -92.687662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.687662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.687662 (E_RNA)
where:
Base-Base interactions energy: -29.244
where: short stacking energy: -24.377
Base-Backbone interact. energy: -0.260
local terms energy: -63.183649
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -98.678422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.678422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.678422 (E_RNA)
where:
Base-Base interactions energy: -33.834
where: short stacking energy: -33.166
Base-Backbone interact. energy: 0.855
local terms energy: -65.699670
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -7.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -295.116461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.116461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.116461 (E_RNA)
where:
Base-Base interactions energy: -209.186
where: short stacking energy: -78.418
Base-Backbone interact. energy: -0.081
local terms energy: -85.849143
where:
bonds (distance) C4'-P energy: -19.883
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -18.308
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -26.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -288.143437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.143437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.143437 (E_RNA)
where:
Base-Base interactions energy: -184.229
where: short stacking energy: -85.754
Base-Backbone interact. energy: -0.003
local terms energy: -103.910703
where:
bonds (distance) C4'-P energy: -19.839
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -20.468
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -27.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -282.525996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.525996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.525996 (E_RNA)
where:
Base-Base interactions energy: -186.114
where: short stacking energy: -84.806
Base-Backbone interact. energy: -0.003
local terms energy: -96.409604
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -28.291
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: 1
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -276.937914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.937914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.937914 (E_RNA)
where:
Base-Base interactions energy: -179.862
where: short stacking energy: -76.528
Base-Backbone interact. energy: -0.040
local terms energy: -97.036251
where:
bonds (distance) C4'-P energy: -19.614
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -22.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -261.700053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.700053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.700053 (E_RNA)
where:
Base-Base interactions energy: -174.490
where: short stacking energy: -73.963
Base-Backbone interact. energy: -0.286
local terms energy: -86.924356
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -23.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -234.910346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.910346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.910346 (E_RNA)
where:
Base-Base interactions energy: -160.216
where: short stacking energy: -76.134
Base-Backbone interact. energy: -0.102
local terms energy: -74.592392
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -124.484921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.484921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.484921 (E_RNA)
where:
Base-Base interactions energy: -64.326
where: short stacking energy: -36.087
Base-Backbone interact. energy: -0.384
local terms energy: -59.774593
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -4.328
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: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -109.992137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.992137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.992137 (E_RNA)
where:
Base-Base interactions energy: -42.412
where: short stacking energy: -30.739
Base-Backbone interact. energy: -0.421
local terms energy: -67.159118
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -9.521
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: 2
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -90.327606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.327606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.327606 (E_RNA)
where:
Base-Base interactions energy: -28.167
where: short stacking energy: -25.039
Base-Backbone interact. energy: -0.127
local terms energy: -62.033436
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -19.688
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -84.405505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.405505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.405505 (E_RNA)
where:
Base-Base interactions energy: -26.118
where: short stacking energy: -18.598
Base-Backbone interact. energy: -0.298
local terms energy: -57.989393
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -0.189
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: 10
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -291.588347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.588347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.588347 (E_RNA)
where:
Base-Base interactions energy: -188.781
where: short stacking energy: -93.272
Base-Backbone interact. energy: -0.112
local terms energy: -102.695881
where:
bonds (distance) C4'-P energy: -21.482
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -16.344
tors. eta vs tors. theta energy: -27.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -286.014542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.014542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.014542 (E_RNA)
where:
Base-Base interactions energy: -193.394
where: short stacking energy: -67.920
Base-Backbone interact. energy: -0.091
local terms energy: -92.529485
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -23.055
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: 3, replica: 1
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -284.419337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.419337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.419337 (E_RNA)
where:
Base-Base interactions energy: -192.034
where: short stacking energy: -80.759
Base-Backbone interact. energy: -0.184
local terms energy: -92.201065
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -20.413
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -26.308
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: 5
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -278.864730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.864730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.864730 (E_RNA)
where:
Base-Base interactions energy: -188.242
where: short stacking energy: -78.795
Base-Backbone interact. energy: -0.211
local terms energy: -90.411849
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -20.831
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: 3
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -269.485539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.485539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.485539 (E_RNA)
where:
Base-Base interactions energy: -183.194
where: short stacking energy: -79.561
Base-Backbone interact. energy: -0.165
local terms energy: -86.126003
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -224.680042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.680042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.680042 (E_RNA)
where:
Base-Base interactions energy: -150.352
where: short stacking energy: -59.680
Base-Backbone interact. energy: -0.909
local terms energy: -73.419490
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -13.571
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: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -111.150895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.150895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.150895 (E_RNA)
where:
Base-Base interactions energy: -53.987
where: short stacking energy: -26.912
Base-Backbone interact. energy: -0.680
local terms energy: -56.484686
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -116.532827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.532827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.532827 (E_RNA)
where:
Base-Base interactions energy: -42.834
where: short stacking energy: -40.352
Base-Backbone interact. energy: -0.181
local terms energy: -73.517670
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -8.719
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: 2
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -95.464929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.464929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.464929 (E_RNA)
where:
Base-Base interactions energy: -37.119
where: short stacking energy: -25.706
Base-Backbone interact. energy: 0.113
local terms energy: -58.459560
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -1.567
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: 9
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -88.588637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.588637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.588637 (E_RNA)
where:
Base-Base interactions energy: -28.128
where: short stacking energy: -26.930
Base-Backbone interact. energy: -0.367
local terms energy: -60.093290
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -4.278
tors. eta vs tors. theta energy: -1.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -294.425882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.425882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.425882 (E_RNA)
where:
Base-Base interactions energy: -203.035
where: short stacking energy: -85.668
Base-Backbone interact. energy: -0.073
local terms energy: -91.318210
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -22.333
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -21.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -289.170391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.170391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.170391 (E_RNA)
where:
Base-Base interactions energy: -204.477
where: short stacking energy: -83.820
Base-Backbone interact. energy: -0.072
local terms energy: -84.622129
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -18.621
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -24.381
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: 8
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -277.817356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.817356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.817356 (E_RNA)
where:
Base-Base interactions energy: -188.491
where: short stacking energy: -76.543
Base-Backbone interact. energy: -0.250
local terms energy: -89.076524
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -282.207106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.207106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.207106 (E_RNA)
where:
Base-Base interactions energy: -191.069
where: short stacking energy: -85.756
Base-Backbone interact. energy: -0.239
local terms energy: -90.899643
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -27.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -262.652692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.652692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.652692 (E_RNA)
where:
Base-Base interactions energy: -176.698
where: short stacking energy: -77.556
Base-Backbone interact. energy: -0.448
local terms energy: -85.506587
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -22.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -253.031089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.031089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.031089 (E_RNA)
where:
Base-Base interactions energy: -165.231
where: short stacking energy: -77.936
Base-Backbone interact. energy: -0.090
local terms energy: -87.709595
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -20.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -105.684600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.684600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.684600 (E_RNA)
where:
Base-Base interactions energy: -38.258
where: short stacking energy: -38.258
Base-Backbone interact. energy: -0.240
local terms energy: -67.186309
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -9.007
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: 8, replica: 2
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -98.119808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.119808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.119808 (E_RNA)
where:
Base-Base interactions energy: -33.534
where: short stacking energy: -25.745
Base-Backbone interact. energy: 0.638
local terms energy: -65.224150
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -2.083
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: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -89.266307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.266307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.266307 (E_RNA)
where:
Base-Base interactions energy: -22.690
where: short stacking energy: -22.690
Base-Backbone interact. energy: -0.025
local terms energy: -66.550908
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -86.987085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.987085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.987085 (E_RNA)
where:
Base-Base interactions energy: -28.323
where: short stacking energy: -26.597
Base-Backbone interact. energy: -0.249
local terms energy: -58.414738
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -4.999
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: 1
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -293.438075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.438075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.438075 (E_RNA)
where:
Base-Base interactions energy: -205.450
where: short stacking energy: -84.487
Base-Backbone interact. energy: -0.248
local terms energy: -87.740745
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -23.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -293.661235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.661235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.661235 (E_RNA)
where:
Base-Base interactions energy: -198.783
where: short stacking energy: -88.505
Base-Backbone interact. energy: -0.009
local terms energy: -94.869658
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -25.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -277.553964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.553964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.553964 (E_RNA)
where:
Base-Base interactions energy: -180.907
where: short stacking energy: -83.296
Base-Backbone interact. energy: -0.719
local terms energy: -95.928132
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -26.827
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: 8
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -266.132864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.132864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.132864 (E_RNA)
where:
Base-Base interactions energy: -183.330
where: short stacking energy: -71.406
Base-Backbone interact. energy: -0.828
local terms energy: -81.975077
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -22.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -262.376330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.376330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.376330 (E_RNA)
where:
Base-Base interactions energy: -175.994
where: short stacking energy: -81.720
Base-Backbone interact. energy: -0.095
local terms energy: -86.287383
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -24.787
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: 5
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -268.107126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.107126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.107126 (E_RNA)
where:
Base-Base interactions energy: -171.402
where: short stacking energy: -76.564
Base-Backbone interact. energy: -0.111
local terms energy: -96.594605
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -23.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -106.225393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.225393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.225393 (E_RNA)
where:
Base-Base interactions energy: -38.838
where: short stacking energy: -38.838
Base-Backbone interact. energy: -0.496
local terms energy: -66.891007
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -7.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -91.674287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.674287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.674287 (E_RNA)
where:
Base-Base interactions energy: -35.854
where: short stacking energy: -29.144
Base-Backbone interact. energy: -0.820
local terms energy: -55.000647
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -1.079
tors. eta vs tors. theta energy: -7.062
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: 9
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -90.278769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.278769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.278769 (E_RNA)
where:
Base-Base interactions energy: -27.205
where: short stacking energy: -25.500
Base-Backbone interact. energy: -0.104
local terms energy: -62.970239
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -5.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -83.360391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.360391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.360391 (E_RNA)
where:
Base-Base interactions energy: -26.481
where: short stacking energy: -26.481
Base-Backbone interact. energy: -0.104
local terms energy: -56.775497
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -295.757947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.757947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.757947 (E_RNA)
where:
Base-Base interactions energy: -205.279
where: short stacking energy: -83.019
Base-Backbone interact. energy: -0.043
local terms energy: -90.436857
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: -22.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -257.291833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.291833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.291833 (E_RNA)
where:
Base-Base interactions energy: -167.891
where: short stacking energy: -65.687
Base-Backbone interact. energy: -0.384
local terms energy: -89.016963
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -17.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -281.919538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.919538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.919538 (E_RNA)
where:
Base-Base interactions energy: -191.338
where: short stacking energy: -73.482
Base-Backbone interact. energy: -0.750
local terms energy: -89.831972
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -19.177
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -21.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -264.914540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.914540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.914540 (E_RNA)
where:
Base-Base interactions energy: -182.727
where: short stacking energy: -71.402
Base-Backbone interact. energy: -0.158
local terms energy: -82.029347
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -20.178
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -19.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -271.143630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.143630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.143630 (E_RNA)
where:
Base-Base interactions energy: -182.337
where: short stacking energy: -82.950
Base-Backbone interact. energy: 1.970
local terms energy: -90.777142
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -24.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -271.572162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.572162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.572162 (E_RNA)
where:
Base-Base interactions energy: -185.952
where: short stacking energy: -77.714
Base-Backbone interact. energy: 0.941
local terms energy: -86.561534
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -24.573
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: 2
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -111.044950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.044950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.044950 (E_RNA)
where:
Base-Base interactions energy: -38.420
where: short stacking energy: -35.901
Base-Backbone interact. energy: -0.115
local terms energy: -72.509054
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -8.871
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: 6
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -94.201633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.201633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.201633 (E_RNA)
where:
Base-Base interactions energy: -33.824
where: short stacking energy: -33.824
Base-Backbone interact. energy: -0.017
local terms energy: -60.360373
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -2.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -89.228486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.228486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.228486 (E_RNA)
where:
Base-Base interactions energy: -29.240
where: short stacking energy: -24.201
Base-Backbone interact. energy: -0.149
local terms energy: -59.840000
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -85.559917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.559917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.559917 (E_RNA)
where:
Base-Base interactions energy: -26.206
where: short stacking energy: -21.839
Base-Backbone interact. energy: -0.283
local terms energy: -59.070152
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: 3.408
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)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 18136964
moves confirmed later: 21149237
all moves confirmed: 39286201
percent of confirmed moves: 4.910775
current total energy: -227.090365
recalc. total energy: -227.090365
replica 1 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 22025464
moves confirmed later: 26339983
all moves confirmed: 48365447
percent of confirmed moves: 6.045681
current total energy: -282.472581
recalc. total energy: -282.472581
replica 8 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 17675356
moves confirmed later: 20693642
all moves confirmed: 38368998
percent of confirmed moves: 4.796125
current total energy: -213.201740
recalc. total energy: -213.201740
replica 10 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 14391457
moves confirmed later: 16193287
all moves confirmed: 30584744
percent of confirmed moves: 3.823093
current total energy: -233.776998
recalc. total energy: -233.776998
replica 7 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 15790263
moves confirmed later: 18065904
all moves confirmed: 33856167
percent of confirmed moves: 4.232021
current total energy: -224.747403
recalc. total energy: -224.747403
replica 5 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 14248964
moves confirmed later: 16025785
all moves confirmed: 30274749
percent of confirmed moves: 3.784344
current total energy: -211.902360
recalc. total energy: -211.902360
replica 6 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 30396419
moves confirmed later: 37373339
all moves confirmed: 67769758
percent of confirmed moves: 8.471220
current total energy: -54.985719
recalc. total energy: -54.985719
replica 2 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 26899909
moves confirmed later: 32774379
all moves confirmed: 59674288
percent of confirmed moves: 7.459286
current total energy: -55.081011
recalc. total energy: -55.081011
replica 9 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 25721716
moves confirmed later: 31197162
all moves confirmed: 56918878
percent of confirmed moves: 7.114860
current total energy: -51.604935
recalc. total energy: -51.604935
replica 4 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 27042474
moves confirmed later: 32948675
all moves confirmed: 59991149
percent of confirmed moves: 7.498894
current total energy: -38.665400
recalc. total energy: -38.665400
out arg RESULTS//1/15-Agno-a128875d_01
Time of doing 8000000 iterations: 3088.347 seconds